==== 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 3MB6 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-B.REISER,R.PRUDENT,C.CLAUDE . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 66.6 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 12.2 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 . 50 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 26.1 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 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 3 A G 0 0 109 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 -0.4 -22.3 29.8 2 4 A P - 0 0 76 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.471 360.0-104.6 -75.6 155.0 -0.9 -19.5 27.3 3 5 A V - 0 0 55 256,-2.0 255,-0.0 -2,-0.1 256,-0.0 -0.570 43.4-113.9 -69.9 135.4 -2.4 -20.2 23.9 4 6 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.280 30.0-156.1 -68.0 164.0 0.3 -20.2 21.2 5 7 A S - 0 0 3 202,-0.1 178,-0.6 201,-0.0 2,-0.3 -0.985 8.5-167.6-141.1 148.9 0.5 -17.6 18.4 6 8 A R - 0 0 119 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.985 34.1-101.6-132.8 146.4 2.0 -17.4 14.9 7 9 A A - 0 0 3 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.368 24.1-140.8 -58.5 144.6 2.5 -14.5 12.5 8 10 A R S S+ 0 0 162 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.527 84.9 41.4 -87.7 -6.6 -0.1 -14.5 9.9 9 11 A V S S+ 0 0 51 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.946 118.9 9.5-135.2 154.3 2.4 -13.5 7.2 10 12 A Y S > S+ 0 0 69 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.836 78.2 156.0 49.7 40.2 6.1 -14.5 6.4 11 13 A T T 3 + 0 0 34 1,-0.2 3,-0.2 2,-0.1 -4,-0.1 0.923 69.1 24.5 -68.7 -44.0 5.5 -17.2 9.0 12 14 A D T 3> S+ 0 0 76 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 0.071 79.9 122.0-114.4 19.7 8.1 -19.7 7.7 13 15 A V T <4 S+ 0 0 31 -3,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.893 82.7 41.5 -51.5 -46.6 10.6 -17.4 5.9 14 16 A N T >4 S+ 0 0 0 166,-0.5 3,-1.2 -4,-0.3 -1,-0.2 0.795 105.0 62.4 -75.9 -28.8 13.5 -18.6 8.1 15 17 A T T 34 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.829 108.8 45.4 -65.0 -28.2 12.6 -22.3 8.2 16 18 A H T 3< S+ 0 0 155 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.265 98.3 87.5 -99.3 7.3 13.2 -22.2 4.4 17 19 A R S < S- 0 0 84 -3,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.675 91.9 -87.3 -98.4 161.3 16.4 -20.3 4.3 18 20 A P >> - 0 0 71 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.369 40.5-111.2 -61.5 149.2 19.9 -21.8 4.7 19 21 A R H >> S+ 0 0 162 1,-0.3 4,-2.4 2,-0.2 3,-0.8 0.851 116.3 61.7 -45.8 -43.5 21.1 -22.3 8.3 20 22 A E H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.717 92.6 67.1 -64.0 -22.5 23.7 -19.6 7.8 21 23 A Y H <4 S+ 0 0 24 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 120.4 13.7 -61.4 -46.0 21.0 -16.9 7.1 22 24 A W H << S+ 0 0 59 -3,-0.8 2,-2.1 -4,-0.7 3,-0.2 0.567 102.0 92.0-111.8 -15.0 19.6 -16.9 10.6 23 25 A D >< + 0 0 33 -4,-2.4 3,-1.1 -5,-0.2 4,-0.1 -0.537 48.0 163.9 -80.8 74.6 22.2 -18.8 12.6 24 26 A Y G > + 0 0 14 -2,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.768 63.4 70.2 -68.6 -26.8 24.0 -15.5 13.6 25 27 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.814 100.9 48.5 -58.9 -29.8 26.0 -17.2 16.4 26 28 A S G < S+ 0 0 81 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.411 84.9 125.2 -89.7 -0.4 27.9 -19.0 13.7 27 29 A H < - 0 0 27 -3,-1.7 2,-0.7 -4,-0.1 54,-0.0 -0.361 53.7-143.8 -66.8 135.6 28.6 -15.9 11.6 28 30 A V - 0 0 121 -2,-0.1 2,-0.3 49,-0.0 -1,-0.1 -0.899 18.8-134.3-101.8 114.2 32.2 -15.1 10.8 29 31 A V - 0 0 22 -2,-0.7 2,-0.6 1,-0.1 48,-0.0 -0.475 8.1-145.4 -72.0 128.6 32.8 -11.3 10.8 30 32 A E - 0 0 162 -2,-0.3 2,-0.4 69,-0.0 68,-0.2 -0.860 19.9-147.2 -91.9 121.0 34.8 -9.9 7.9 31 33 A W - 0 0 99 -2,-0.6 68,-0.2 66,-0.1 2,-0.1 -0.746 10.8-162.6 -95.4 135.3 36.9 -7.0 9.2 32 34 A G - 0 0 22 66,-3.0 2,-0.7 -2,-0.4 68,-0.3 -0.147 42.4 -68.1 -93.2-161.8 37.9 -3.9 7.2 33 35 A N > - 0 0 92 1,-0.2 3,-1.8 66,-0.1 4,-0.3 -0.812 31.2-161.3-100.7 112.0 40.6 -1.4 7.9 34 36 A Q G > S+ 0 0 83 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.799 89.2 68.0 -59.8 -27.1 40.2 0.8 11.0 35 37 A D G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.703 83.2 73.3 -70.4 -16.3 42.7 3.2 9.6 36 38 A D G < S+ 0 0 43 -3,-1.8 21,-2.7 20,-0.1 22,-0.5 0.696 92.3 69.2 -62.0 -20.3 40.3 4.2 6.9 37 39 A Y E < -A 56 0A 30 -3,-1.6 2,-0.5 -4,-0.3 19,-0.2 -0.892 57.8-171.1-117.7 129.2 38.2 6.1 9.5 38 40 A Q E -A 55 0A 114 17,-2.6 17,-2.1 -2,-0.5 2,-0.1 -0.969 24.7-133.2-115.6 115.3 39.0 9.3 11.4 39 41 A L E +A 54 0A 73 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.411 28.2 172.8 -65.4 139.3 36.5 10.2 14.2 40 42 A V E + 0 0 86 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.740 59.4 1.0-115.4 -44.6 35.4 13.8 14.1 41 43 A R E -A 53 0A 133 12,-1.6 12,-3.2 0, 0.0 2,-0.5 -0.987 63.8-121.2-158.2 131.9 32.7 14.4 16.7 42 44 A K E -A 52 0A 111 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.723 28.7-179.8 -79.7 125.0 30.9 12.2 19.2 43 45 A L E - 0 0 78 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.828 54.3 -20.3 -97.9 -37.7 27.1 12.3 18.4 44 46 A G E -A 51 0A 30 7,-1.7 7,-3.2 2,-0.0 2,-0.4 -0.991 41.7-139.3-165.8 162.9 25.5 10.1 21.1 45 47 A R E -A 50 0A 167 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.986 24.4-176.0-132.3 120.9 25.9 7.4 23.7 46 48 A G - 0 0 39 3,-2.6 -2,-0.0 -2,-0.4 5,-0.0 -0.370 46.9 -89.1 -97.8-172.7 23.2 4.8 24.0 47 49 A K S S+ 0 0 186 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.793 125.9 25.4 -66.1 -27.9 22.9 2.0 26.5 48 50 A Y S S+ 0 0 80 1,-0.1 21,-2.1 22,-0.1 2,-0.3 0.403 124.5 20.1-123.6 -1.2 24.9 -0.4 24.3 49 51 A S E - B 0 68A 9 19,-0.2 -3,-2.6 20,-0.2 2,-0.4 -0.983 58.0-125.0-158.7 166.5 27.1 1.8 22.0 50 52 A E E -AB 45 67A 42 17,-1.6 17,-3.0 -2,-0.3 2,-0.4 -0.984 27.9-149.6-117.2 137.7 28.8 5.2 21.3 51 53 A V E -AB 44 66A 38 -7,-3.2 -8,-3.0 -2,-0.4 -7,-1.7 -0.917 15.5-176.0-116.4 129.4 28.1 6.9 18.0 52 54 A F E -AB 42 65A 28 13,-3.1 13,-3.2 -2,-0.4 2,-0.4 -0.953 28.1-130.5-125.5 140.3 30.5 9.2 16.2 53 55 A E E +AB 41 64A 21 -12,-3.2 -13,-3.0 -2,-0.4 -12,-1.6 -0.710 45.4 167.2 -74.4 138.1 30.6 11.3 13.1 54 56 A A E -AB 39 63A 1 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.882 32.8-121.6-144.6 174.0 33.7 10.3 11.2 55 57 A I E -AB 38 62A 43 -17,-2.1 -17,-2.6 -2,-0.3 2,-0.8 -0.985 15.4-136.7-124.5 135.5 35.4 10.8 7.8 56 58 A N E >>> -AB 37 61A 22 5,-2.9 4,-1.5 -2,-0.4 3,-0.9 -0.865 15.3-162.4 -87.7 111.2 36.4 7.9 5.5 57 59 A I T 345S+ 0 0 83 -21,-2.7 -1,-0.1 -2,-0.8 -20,-0.1 0.623 82.8 69.3 -76.0 -12.4 39.8 9.1 4.3 58 60 A T T 345S+ 0 0 101 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.811 126.3 5.9 -71.7 -29.5 39.8 6.7 1.3 59 61 A N T <45S- 0 0 70 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.1 0.333 95.4-120.6-133.3 4.5 37.0 8.8 -0.3 60 62 A N T <5 + 0 0 113 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.749 64.0 146.6 48.8 31.5 36.7 11.8 2.0 61 63 A E E < -B 56 0A 118 -5,-0.8 -5,-2.9 1,-0.0 -1,-0.2 -0.745 52.9-112.6 -93.6 142.1 33.0 10.9 2.6 62 64 A K E +B 55 0A 119 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.474 42.9 176.1 -71.7 142.8 31.3 11.6 5.9 63 65 A V E -BC 54 112A 7 -9,-2.6 -9,-2.5 -2,-0.2 2,-0.5 -0.880 29.2-121.7-143.1 167.5 30.3 8.4 7.8 64 66 A V E -BC 53 111A 27 47,-2.4 47,-2.8 -2,-0.3 2,-0.6 -0.982 21.6-160.2-119.1 127.7 28.8 7.3 11.1 65 67 A V E -BC 52 110A 5 -13,-3.2 -13,-3.1 -2,-0.5 2,-0.7 -0.937 3.3-167.1-112.5 120.7 30.7 5.0 13.4 66 68 A K E -BC 51 109A 12 43,-3.1 43,-2.9 -2,-0.6 2,-0.9 -0.911 8.7-156.0-107.8 107.6 28.9 3.1 16.1 67 69 A I E -BC 50 108A 17 -17,-3.0 -17,-1.6 -2,-0.7 41,-0.2 -0.756 16.9-144.3 -88.7 105.9 31.3 1.5 18.6 68 70 A L E +B 49 0A 4 39,-1.8 -19,-0.2 -2,-0.9 38,-0.1 -0.303 35.9 155.6 -71.2 149.8 29.5 -1.5 20.1 69 71 A K + 0 0 97 -21,-2.1 -20,-0.2 3,-0.1 -1,-0.1 0.339 21.0 170.7-147.8 3.3 30.0 -2.4 23.8 70 72 A P - 0 0 14 0, 0.0 -22,-0.1 0, 0.0 6,-0.1 0.324 38.7-137.2 -45.3 146.2 26.8 -4.4 24.7 71 73 A V S S+ 0 0 134 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.830 101.0 62.3 -67.8 -34.2 26.4 -6.3 28.0 72 74 A K S > S- 0 0 101 1,-0.1 3,-1.0 2,-0.0 4,-0.2 -0.863 74.8-165.3 -91.9 108.4 24.9 -9.2 26.0 73 75 A K T >> S+ 0 0 179 -2,-0.8 3,-1.4 1,-0.2 4,-0.5 0.746 80.2 69.2 -69.1 -26.4 27.8 -10.2 23.7 74 76 A K H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.777 85.5 70.6 -60.2 -30.4 25.5 -12.3 21.4 75 77 A K H <> S+ 0 0 11 -3,-1.0 4,-2.5 1,-0.2 -1,-0.3 0.696 86.5 68.7 -62.9 -22.8 23.9 -9.0 20.2 76 78 A I H <> S+ 0 0 28 -3,-1.4 4,-2.0 -4,-0.2 -1,-0.2 0.970 107.4 32.7 -58.7 -59.8 27.1 -8.2 18.3 77 79 A K H X S+ 0 0 80 -4,-0.5 4,-2.7 -3,-0.3 5,-0.2 0.796 116.7 59.9 -70.7 -29.3 26.8 -10.9 15.7 78 80 A R H X S+ 0 0 17 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.957 108.9 41.7 -62.7 -50.2 23.1 -10.6 15.7 79 81 A E H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.914 116.4 49.0 -64.3 -44.9 23.1 -7.0 14.7 80 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.945 112.9 46.8 -58.8 -48.6 25.9 -7.5 12.1 81 83 A K H X S+ 0 0 27 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.937 113.1 49.4 -63.3 -45.2 24.1 -10.5 10.6 82 84 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.928 111.2 48.8 -57.5 -47.0 20.8 -8.7 10.4 83 85 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 12,-0.3 0.868 113.2 47.1 -64.0 -36.5 22.4 -5.6 8.8 84 86 A E H >< S+ 0 0 48 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.917 111.1 52.0 -72.0 -40.5 24.1 -7.7 6.2 85 87 A N H 3< S+ 0 0 24 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.5 38.2 -59.3 -40.5 20.9 -9.7 5.5 86 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.2 -1,-0.2 0.485 83.1 132.6 -92.0 -3.8 19.0 -6.5 4.9 87 89 A R T << S+ 0 0 111 -4,-0.8 7,-0.1 -3,-0.6 6,-0.1 -0.195 75.1 18.3 -54.5 132.2 21.6 -4.4 3.1 88 90 A G T 3 S+ 0 0 67 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.260 91.7 133.5 88.6 -14.1 20.3 -2.8 0.0 89 91 A G S X S- 0 0 9 -3,-2.3 3,-1.5 1,-0.1 -1,-0.3 -0.281 72.2 -76.6 -64.1 157.6 16.6 -3.1 1.1 90 92 A P T 3 S- 0 0 61 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.394 110.5 -9.8 -63.2 122.6 14.3 -0.0 0.8 91 93 A N T 3 S+ 0 0 20 1,-0.2 80,-3.2 -2,-0.2 2,-0.5 0.648 97.3 134.5 65.1 20.7 15.0 2.6 3.5 92 94 A I B < -e 171 0B 1 -3,-1.5 -4,-0.3 78,-0.2 -1,-0.2 -0.871 65.1-106.7 -97.2 130.2 17.2 0.2 5.5 93 95 A I - 0 0 7 78,-1.7 2,-0.6 -2,-0.5 -4,-0.1 -0.315 35.6-125.3 -54.4 135.0 20.5 1.8 6.8 94 96 A T - 0 0 45 -7,-0.1 18,-1.5 -6,-0.1 2,-0.7 -0.793 8.9-142.2 -91.9 116.4 23.5 0.5 4.9 95 97 A L E +D 111 0A 1 -2,-0.6 16,-0.2 -12,-0.3 3,-0.1 -0.725 22.5 179.6 -73.8 114.7 26.3 -1.1 6.8 96 98 A A E - 0 0 62 14,-3.3 2,-0.3 -2,-0.7 15,-0.2 0.752 57.7 -12.0 -93.5 -27.3 29.4 0.1 4.9 97 99 A D E -D 110 0A 32 13,-1.7 13,-2.9 -65,-0.1 2,-0.4 -0.980 48.3-140.3-165.4 164.4 32.1 -1.5 7.0 98 100 A I E +D 109 0A 4 -2,-0.3 -66,-3.0 11,-0.2 2,-0.3 -0.964 30.1 172.7-135.5 117.1 33.0 -3.3 10.3 99 101 A V E -D 108 0A 7 9,-2.6 9,-3.4 -2,-0.4 2,-0.7 -0.878 35.6-115.2-124.5 157.2 36.3 -2.4 12.0 100 102 A K E -D 107 0A 101 -68,-0.3 -66,-0.1 -2,-0.3 -33,-0.0 -0.826 33.0-132.7 -87.5 117.3 38.0 -3.3 15.3 101 103 A D > - 0 0 26 5,-3.0 4,-1.8 -2,-0.7 5,-0.3 -0.578 9.0-144.6 -70.8 129.6 38.3 -0.1 17.3 102 104 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.816 93.7 40.3 -66.3 -29.8 41.9 0.1 18.7 103 105 A V T 4 S+ 0 0 123 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.960 123.5 33.7 -83.9 -57.0 40.9 1.7 22.0 104 106 A S T 4 S- 0 0 45 2,-0.1 -1,-0.1 1,-0.1 -4,-0.0 0.740 93.2-141.2 -70.7 -23.9 37.7 -0.1 23.0 105 107 A R < + 0 0 204 -4,-1.8 -1,-0.1 1,-0.3 -5,-0.0 0.700 65.0 112.5 61.7 28.3 39.0 -3.4 21.4 106 108 A T S S- 0 0 37 -5,-0.3 -5,-3.0 -38,-0.1 -1,-0.3 -0.771 77.9 -80.3-122.5 164.9 35.4 -3.9 20.2 107 109 A P E - D 0 100A 21 0, 0.0 -39,-1.8 0, 0.0 2,-0.5 -0.399 38.7-157.9 -66.1 141.9 33.7 -4.0 16.8 108 110 A A E -CD 67 99A 1 -9,-3.4 -9,-2.6 -41,-0.2 2,-0.4 -0.991 7.9-144.2-122.0 124.3 32.8 -0.7 15.3 109 111 A L E -CD 66 98A 0 -43,-2.9 -43,-3.1 -2,-0.5 2,-0.6 -0.757 8.3-152.2 -92.4 134.4 30.0 -0.5 12.7 110 112 A V E -CD 65 97A 0 -13,-2.9 -14,-3.3 -2,-0.4 -13,-1.7 -0.929 18.4-179.2-111.3 117.8 30.4 2.0 9.8 111 113 A F E -CD 64 95A 19 -47,-2.8 -47,-2.4 -2,-0.6 -16,-0.2 -0.832 34.7 -95.4-113.7 151.1 27.2 3.3 8.3 112 114 A E E -C 63 0A 50 -18,-1.5 2,-0.3 -2,-0.3 -49,-0.2 -0.234 52.4-101.8 -48.4 146.9 26.4 5.7 5.5 113 115 A H - 0 0 40 -51,-0.7 2,-0.6 -50,-0.1 -1,-0.1 -0.630 26.2-159.8 -81.6 135.9 25.8 9.3 6.7 114 116 A V - 0 0 8 -2,-0.3 2,-0.2 -3,-0.1 48,-0.1 -0.800 39.3-108.9-115.4 87.1 22.1 10.4 7.0 115 117 A N - 0 0 60 -2,-0.6 2,-0.1 1,-0.3 49,-0.1 -0.351 63.4 -62.7 -61.2 116.5 22.4 14.2 7.0 116 118 A N S S+ 0 0 89 -2,-0.2 2,-0.4 47,-0.1 -1,-0.3 -0.850 90.3 88.8-125.0 14.7 21.8 15.0 9.8 117 119 A T - 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0 0 84 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.937 52.0-136.0-136.7 108.6 0.7 14.7 21.3 228 230 A E S S+ 0 0 83 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.941 90.8 10.0-115.5 114.5 4.2 13.5 22.2 229 231 A P S S- 0 0 12 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.768 76.8-155.8 -80.4 169.7 4.1 10.6 23.3 230 232 A F S S+ 0 0 9 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.932 91.5 39.4 -73.8 -45.0 0.6 9.5 22.6 231 233 A F S S- 0 0 3 -37,-0.3 2,-1.0 -4,-0.1 -1,-0.3 -0.902 79.6-170.7-106.8 104.3 0.5 6.9 25.4 232 234 A H + 0 0 84 -2,-0.7 2,-0.1 -3,-0.2 -38,-0.0 -0.520 9.7 175.0-106.6 68.2 2.4 8.6 28.2 233 235 A G - 0 0 1 -2,-1.0 6,-0.1 1,-0.1 3,-0.1 -0.391 32.2-145.9 -75.3 145.6 3.1 6.0 30.9 234 236 A H S S- 0 0 125 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.687 85.9 -10.1 -80.9 -16.6 5.1 6.7 34.0 235 237 A D S > S- 0 0 55 -42,-0.1 4,-2.1 0, 0.0 -1,-0.1 -0.906 91.3 -76.6-160.8-175.9 6.4 3.0 34.0 236 238 A N H > S+ 0 0 48 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.772 128.3 48.0 -65.0 -24.5 5.6 -0.2 32.2 237 239 A Y H >> S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.939 112.6 45.1 -80.7 -50.2 2.5 -0.8 34.3 238 240 A D H 3> S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.812 103.3 69.3 -62.8 -27.7 1.0 2.6 33.9 239 241 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.923 101.4 44.4 -55.5 -46.1 1.9 2.3 30.2 240 242 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.2 3,-1.9 0.936 109.8 52.7 -64.6 -47.1 -3.5 2.4 26.6 244 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.816 99.1 63.5 -62.3 -30.3 -6.6 1.1 28.4 245 247 A K H 3< S+ 0 0 109 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.669 116.8 30.1 -68.5 -13.5 -7.9 4.6 28.9 246 248 A V H <4 S+ 0 0 12 -3,-1.9 31,-2.8 -4,-0.3 -2,-0.2 0.792 129.7 33.6-106.9 -51.4 -8.1 4.9 25.1 247 249 A L H < S- 0 0 0 -4,-3.0 4,-0.4 29,-0.2 29,-0.2 0.643 110.5-121.7 -86.0 -15.7 -8.8 1.4 23.8 248 250 A G X - 0 0 2 -4,-1.6 4,-0.8 -5,-0.5 27,-0.2 0.136 11.4 -99.7 93.0 154.3 -10.9 0.5 26.8 249 251 A T H > S+ 0 0 5 25,-2.3 4,-2.8 2,-0.2 5,-0.2 0.770 112.2 66.0 -80.1 -28.0 -10.6 -2.4 29.3 250 252 A E H > S+ 0 0 157 24,-0.7 4,-2.6 1,-0.2 -1,-0.1 0.947 104.4 44.8 -61.7 -46.7 -13.2 -4.7 27.7 251 253 A D H > S+ 0 0 68 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.832 111.8 55.0 -65.6 -31.4 -11.1 -5.2 24.6 252 254 A L H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 5,-0.3 0.949 109.8 45.0 -63.3 -48.5 -8.0 -5.7 26.8 253 255 A Y H X S+ 0 0 83 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.921 111.1 53.5 -64.9 -39.4 -9.7 -8.4 28.8 254 256 A D H X S+ 0 0 103 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.909 110.4 49.2 -56.4 -41.9 -11.0 -10.0 25.5 255 257 A Y H X S+ 0 0 7 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.950 113.4 42.6 -63.2 -54.3 -7.3 -10.0 24.3 256 258 A I H <>S+ 0 0 7 -4,-2.6 5,-2.9 1,-0.2 4,-0.2 0.900 114.8 52.8 -64.2 -36.3 -5.8 -11.6 27.4 257 259 A D H ><5S+ 0 0 97 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 0.881 104.3 56.6 -63.4 -39.6 -8.7 -14.1 27.5 258 260 A K H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.6 34.4 -57.8 -41.7 -8.1 -15.1 23.9 259 261 A Y T 3<5S- 0 0 1 -4,-1.5 -256,-2.0 -5,-0.1 -1,-0.2 0.270 110.1-119.5 -99.2 9.8 -4.5 -16.1 24.6 260 262 A N T < 5 + 0 0 105 -3,-0.9 2,-0.4 -258,-0.2 -3,-0.2 0.856 58.6 158.5 51.7 40.5 -5.3 -17.4 28.1 261 263 A I < - 0 0 20 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.2 -0.757 33.7-144.8 -90.3 135.2 -2.9 -14.7 29.6 262 264 A E - 0 0 170 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.912 18.1-126.3-100.7 126.2 -3.3 -13.7 33.2 263 265 A L - 0 0 18 -2,-0.5 -61,-0.1 1,-0.1 5,-0.1 -0.413 35.0 -94.5 -60.4 142.2 -2.5 -10.1 34.1 264 266 A D > - 0 0 58 1,-0.2 3,-2.5 -2,-0.1 4,-0.2 -0.409 35.7-124.7 -46.7 124.4 -0.0 -9.4 36.8 265 267 A P G > S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.672 104.3 84.1 -56.3 -14.7 -2.3 -9.0 39.9 266 268 A R G > S+ 0 0 128 1,-0.3 3,-0.8 2,-0.1 4,-0.2 0.806 80.7 63.5 -52.8 -33.0 -0.5 -5.6 40.2 267 269 A F G X> S+ 0 0 2 -3,-2.5 4,-3.0 1,-0.2 3,-1.2 0.704 80.6 80.4 -69.9 -19.5 -3.1 -4.3 37.7 268 270 A N G <4 S+ 0 0 119 -3,-1.5 4,-0.3 1,-0.3 -1,-0.2 0.809 98.4 40.0 -58.1 -32.7 -6.1 -5.0 40.0 269 271 A D G <4 S+ 0 0 157 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.485 128.3 31.1 -92.9 -5.1 -5.6 -1.8 42.0 270 272 A I T <4 S+ 0 0 77 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.664 100.5 68.4-127.0 -26.8 -4.7 0.4 39.0 271 273 A L < + 0 0 1 -4,-3.0 -3,-0.1 1,-0.1 -2,-0.1 0.883 67.2 172.7 -73.8 -40.0 -6.4 -0.7 35.8 272 274 A G - 0 0 52 -5,-0.4 2,-0.4 -4,-0.3 -1,-0.1 -0.200 45.3 -58.1 65.1-157.4 -10.0 0.3 36.6 273 275 A R + 0 0 233 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.994 58.2 177.3-128.3 121.1 -12.9 0.1 34.1 274 276 A H - 0 0 46 -2,-0.4 -25,-2.3 -30,-0.0 -24,-0.7 -0.988 22.3-136.9-133.4 133.5 -12.6 2.2 30.9 275 277 A S - 0 0 79 -2,-0.4 -27,-0.3 -27,-0.2 2,-0.3 -0.477 37.4 -98.9 -75.0 156.0 -14.8 2.6 27.9 276 278 A R - 0 0 76 -29,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.646 43.2-136.4 -70.7 133.6 -13.3 2.6 24.4 277 279 A K - 0 0 28 -31,-2.8 2,-0.2 -2,-0.3 -31,-0.0 -0.722 11.3-116.8 -94.0 144.5 -13.0 6.2 23.2 278 280 A R > - 0 0 217 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.572 28.0-121.8 -73.3 142.7 -13.9 7.5 19.8 279 281 A W G > S+ 0 0 20 1,-0.3 3,-2.1 -2,-0.2 4,-0.2 0.776 106.3 75.8 -60.3 -23.7 -10.7 8.9 18.1 280 282 A E G > S+ 0 0 120 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.739 76.7 78.1 -61.1 -21.7 -12.4 12.3 17.7 281 283 A R G < S+ 0 0 174 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.829 94.8 47.5 -51.1 -33.3 -11.8 12.8 21.4 282 284 A F G < S+ 0 0 37 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.479 90.4 100.0 -94.7 -2.1 -8.1 13.6 20.5 283 285 A V < + 0 0 28 -3,-1.5 2,-0.3 -4,-0.2 -58,-0.1 -0.671 44.2 155.5 -86.6 136.9 -8.9 16.1 17.7 284 286 A H >> - 0 0 84 -2,-0.3 4,-1.8 -59,-0.0 3,-1.3 -0.891 57.9 -81.8-150.6 179.7 -8.7 19.8 18.4 285 287 A S T 34 S+ 0 0 77 1,-0.3 4,-0.3 -2,-0.3 -2,-0.0 0.776 123.5 53.6 -61.3 -28.2 -8.2 23.1 16.5 286 288 A E T 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.637 121.3 26.4 -84.7 -17.0 -4.4 22.7 16.6 287 289 A N T X> S+ 0 0 0 -3,-1.3 3,-2.5 -62,-0.1 4,-0.5 0.491 88.5 101.2-118.1 -4.3 -4.2 19.3 15.0 288 290 A Q G >< S+ 0 0 116 -4,-1.8 3,-1.0 1,-0.3 -3,-0.1 0.771 74.8 64.0 -59.7 -27.7 -7.4 19.1 12.9 289 291 A H G 34 S+ 0 0 106 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.577 104.4 48.4 -69.5 -10.1 -5.6 19.8 9.6 290 292 A L G <4 S+ 0 0 0 -3,-2.5 2,-0.4 -66,-0.3 -1,-0.2 0.483 98.3 84.0-105.8 -10.1 -3.6 16.5 10.1 291 293 A V << + 0 0 23 -3,-1.0 3,-0.1 -4,-0.5 -163,-0.0 -0.775 48.3 156.7-102.4 136.6 -6.7 14.4 10.8 292 294 A S > - 0 0 18 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.925 55.9-102.8-144.8 164.9 -8.9 12.9 8.1 293 295 A P H > S+ 0 0 105 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 123.8 53.7 -58.5 -39.4 -11.3 9.9 8.1 294 296 A E H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.908 108.3 48.7 -59.4 -44.3 -8.6 7.9 6.3 295 297 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 112.3 48.0 -62.1 -47.4 -6.0 8.7 9.0 296 298 A L H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.895 112.8 47.6 -63.9 -39.6 -8.3 7.8 11.8 297 299 A D H X S+ 0 0 64 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.916 112.8 49.1 -65.5 -46.2 -9.3 4.5 10.1 298 300 A F H >X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.952 113.4 47.0 -56.4 -49.5 -5.7 3.6 9.4 299 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 3,-1.2 0.918 107.4 56.4 -60.0 -44.1 -4.7 4.4 13.0 300 302 A D H 3< S+ 0 0 28 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.819 106.4 51.7 -55.8 -31.7 -7.6 2.4 14.3 301 303 A K H << S+ 0 0 70 -4,-1.3 10,-1.9 -3,-0.6 -1,-0.2 0.586 113.1 43.1 -87.6 -11.0 -6.3 -0.7 12.4 302 304 A L H << S+ 0 0 0 -3,-1.2 2,-2.0 -4,-0.8 -2,-0.2 0.817 103.0 65.2 -93.3 -47.2 -2.8 -0.4 13.8 303 305 A L S < S+ 0 0 0 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.532 71.9 136.6 -85.6 75.0 -3.6 0.3 17.4 304 306 A R - 0 0 74 -2,-2.0 6,-0.1 -3,-0.2 -3,-0.0 -0.970 54.5-140.5-118.2 135.8 -5.3 -3.1 18.2 305 307 A Y S S+ 0 0 8 -2,-0.4 2,-0.6 -58,-0.1 -106,-0.2 0.956 90.2 74.9 -56.7 -54.5 -4.7 -5.0 21.4 306 308 A D S >> S- 0 0 21 1,-0.2 3,-1.7 -3,-0.1 4,-0.7 -0.543 72.2-156.5 -68.2 109.8 -4.7 -8.3 19.5 307 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.826 93.1 59.5 -57.5 -30.9 -1.3 -8.4 17.6 308 310 A Q G 34 S+ 0 0 46 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.717 102.2 52.7 -70.0 -22.0 -3.0 -10.9 15.1 309 311 A S G <4 S+ 0 0 68 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.567 85.2 105.6 -91.2 -12.2 -5.7 -8.3 14.1 310 312 A R S << S- 0 0 4 -4,-0.7 -8,-0.2 -3,-0.6 2,-0.1 -0.329 82.5 -97.0 -67.6 149.8 -3.3 -5.4 13.3 311 313 A L - 0 0 23 -10,-1.9 2,-0.1 -13,-0.2 -1,-0.1 -0.411 38.7-128.2 -56.1 138.4 -2.7 -4.4 9.7 312 314 A T > - 0 0 31 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.433 29.6-100.5 -76.7 169.1 0.5 -6.0 8.3 313 315 A A H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -170,-0.1 0.916 124.3 47.6 -57.0 -46.8 3.1 -3.7 6.7 314 316 A R H > S+ 0 0 142 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.936 112.0 48.0 -61.3 -49.6 1.9 -4.7 3.2 315 317 A E H >4 S+ 0 0 92 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.879 108.1 57.3 -57.7 -39.2 -1.9 -4.3 4.0 316 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.907 101.1 54.9 -61.3 -38.7 -1.0 -0.9 5.5 317 319 A M H 3< S+ 0 0 32 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 103.4 58.6 -66.0 -21.5 0.5 0.3 2.2 318 320 A E T << S+ 0 0 133 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.538 83.4 119.4 -76.6 -12.5 -2.8 -0.6 0.6 319 321 A H S X S- 0 0 13 -3,-1.7 3,-2.3 -4,-0.3 4,-0.2 -0.257 74.1-123.5 -68.9 143.7 -4.8 1.8 2.8 320 322 A P G > S+ 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.754 105.4 77.0 -52.3 -26.1 -6.8 4.7 1.4 321 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 4,-0.1 0.806 95.9 48.4 -53.6 -29.5 -4.7 7.0 3.6 322 324 A F G X S+ 0 0 2 -3,-2.3 3,-1.0 -6,-0.2 -1,-0.3 0.454 81.4 94.6 -94.8 -0.6 -1.9 6.6 1.1 323 325 A Y T < S+ 0 0 174 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.852 85.2 52.2 -59.8 -34.9 -4.0 7.3 -2.1 324 326 A T T 3 S+ 0 0 79 -4,-0.4 2,-0.3 -3,-0.4 -1,-0.3 0.697 88.8 97.5 -75.9 -19.1 -3.0 11.0 -2.1 325 327 A V S < S- 0 0 5 -3,-1.0 2,-0.3 -4,-0.1 -195,-0.0 -0.575 82.0-119.0 -77.0 126.8 0.7 10.2 -1.9 326 328 A V - 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.481 26.7-141.0 -65.2 124.6 2.5 10.3 -5.3 327 329 A K - 0 0 86 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.690 34.4 -80.6 -88.3 140.1 4.0 6.8 -6.1 328 330 A D 0 0 100 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.679 360.0 360.0 -81.0 137.9 7.4 6.7 -7.8 329 331 A Q 0 0 218 -2,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.167 360.0 360.0-112.1 360.0 7.9 7.1 -10.6