==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 10-MAY-07 2PVR . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA, CATALYTIC SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.NIEFIND,C.W.YDE,I.ERMAKOVA,O.-G.ISSINGER . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.0 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 . 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 . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.8 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 1 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 0 177 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.4 8.5 -16.3 28.0 2 3 A G - 0 0 44 259,-0.1 260,-0.0 2,-0.0 0, 0.0 0.063 360.0 -32.0 81.5 171.4 6.5 -13.3 29.0 3 4 A P - 0 0 72 0, 0.0 258,-0.3 0, 0.0 259,-0.1 -0.160 62.2-109.4 -65.6 152.6 7.0 -10.7 31.8 4 5 A V - 0 0 54 256,-2.6 -2,-0.0 1,-0.1 258,-0.0 -0.680 42.2-113.8 -77.3 134.4 8.6 -11.5 35.1 5 6 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.184 30.6-162.8 -69.4 162.4 6.0 -11.4 37.9 6 7 A S - 0 0 8 201,-0.1 178,-0.6 202,-0.1 2,-0.3 -0.978 6.9-168.5-141.4 149.6 5.9 -8.9 40.7 7 8 A R - 0 0 158 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.986 35.1 -93.1-137.2 157.1 4.2 -8.6 44.1 8 9 A A - 0 0 1 -2,-0.3 4,-0.1 4,-0.1 301,-0.1 -0.318 24.7-141.3 -57.5 144.7 3.8 -5.8 46.7 9 10 A R S S+ 0 0 183 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.535 85.1 37.9 -88.4 -7.1 6.5 -5.7 49.3 10 11 A V S S+ 0 0 52 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.965 119.6 12.0-139.2 153.5 3.9 -4.8 52.0 11 12 A Y S > S+ 0 0 67 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.838 78.5 155.9 51.3 35.6 0.3 -5.8 52.8 12 13 A T T 3 + 0 0 22 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.911 69.1 21.7 -63.5 -45.7 0.9 -8.5 50.2 13 14 A D T 3> S+ 0 0 80 1,-0.2 4,-0.9 169,-0.1 -1,-0.3 -0.076 81.5 122.2-119.3 32.2 -1.7 -11.1 51.3 14 15 A V T X4 S+ 0 0 30 -3,-0.9 3,-0.5 1,-0.2 -1,-0.2 0.903 78.6 47.0 -61.3 -40.9 -4.2 -8.9 53.3 15 16 A N G >4 S+ 0 0 1 166,-0.4 3,-1.5 -4,-0.3 -1,-0.2 0.821 102.7 62.1 -74.9 -28.8 -7.2 -9.9 51.1 16 17 A T G 34 S+ 0 0 82 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.741 104.3 49.9 -68.7 -22.8 -6.5 -13.6 51.2 17 18 A H G << S+ 0 0 146 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.177 97.7 92.5 -98.6 15.1 -6.9 -13.6 55.0 18 19 A R S < S- 0 0 89 -3,-1.5 2,-0.0 1,-0.1 -3,-0.0 -0.675 91.6 -91.7 -98.2 159.4 -10.2 -11.7 54.7 19 20 A P >> - 0 0 72 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.432 42.2-113.2 -59.3 147.8 -13.7 -13.2 54.5 20 21 A R H >> S+ 0 0 158 1,-0.3 4,-2.9 2,-0.2 3,-0.8 0.869 116.1 65.1 -49.5 -37.1 -14.6 -13.7 50.8 21 22 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.757 89.5 64.8 -61.8 -30.9 -17.3 -11.0 51.3 22 23 A Y H <4 S+ 0 0 19 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 121.9 14.9 -59.4 -45.2 -14.7 -8.3 52.1 23 24 A W H << S+ 0 0 54 -3,-0.8 2,-2.3 -4,-0.7 -2,-0.2 0.644 102.0 89.6-109.2 -20.4 -13.2 -8.3 48.5 24 25 A D >< + 0 0 37 -4,-2.9 3,-1.4 -5,-0.2 4,-0.4 -0.477 50.7 167.6 -79.2 72.2 -15.7 -10.2 46.5 25 26 A Y T 3 + 0 0 17 -2,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.661 63.2 70.9 -65.5 -19.4 -17.6 -7.0 45.6 26 27 A E T 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.829 99.1 47.9 -66.2 -33.1 -19.7 -8.7 42.9 27 28 A S S < S+ 0 0 70 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.581 85.9 123.0 -83.0 -10.2 -21.7 -10.6 45.6 28 29 A H - 0 0 23 -3,-0.5 2,-0.7 -4,-0.4 54,-0.1 -0.268 54.0-146.9 -58.3 129.4 -22.2 -7.4 47.6 29 30 A V - 0 0 115 49,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.897 18.5-133.2 -99.5 113.2 -25.9 -6.6 48.3 30 31 A V - 0 0 21 -2,-0.7 2,-0.7 1,-0.1 48,-0.0 -0.446 7.1-140.3 -65.7 132.6 -26.4 -2.8 48.4 31 32 A E - 0 0 152 -2,-0.2 2,-0.3 69,-0.0 68,-0.3 -0.888 25.9-144.3 -94.2 113.6 -28.4 -1.4 51.4 32 33 A W - 0 0 109 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.606 12.0-159.0 -88.4 134.7 -30.5 1.4 49.9 33 34 A G - 0 0 22 66,-3.5 2,-0.6 -2,-0.3 68,-0.4 -0.188 37.5 -77.8 -90.3-168.5 -31.5 4.6 51.7 34 35 A N > - 0 0 97 1,-0.1 3,-1.9 66,-0.1 4,-0.2 -0.858 28.3-157.3-100.7 114.4 -34.3 7.0 50.9 35 36 A Q G > S+ 0 0 81 -2,-0.6 3,-2.0 1,-0.3 -1,-0.1 0.811 89.3 69.3 -58.4 -32.4 -33.7 9.3 48.0 36 37 A D G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.614 82.5 73.5 -67.4 -11.0 -36.3 11.8 49.4 37 38 A D G < S+ 0 0 43 -3,-1.9 21,-2.1 20,-0.1 22,-0.5 0.676 93.2 65.9 -67.3 -18.1 -33.9 12.6 52.2 38 39 A Y E < -A 57 0A 30 -3,-2.0 2,-0.5 19,-0.2 19,-0.2 -0.917 61.7-167.8-119.1 131.0 -31.7 14.5 49.7 39 40 A Q E -A 56 0A 116 17,-2.4 17,-1.9 -2,-0.4 2,-0.1 -0.980 25.0-129.9-115.3 119.3 -32.6 17.7 47.8 40 41 A L E +A 55 0A 69 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.470 27.5 176.3 -69.0 138.2 -30.3 18.6 44.9 41 42 A V E - 0 0 68 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.755 60.0 -15.0-111.7 -49.8 -29.1 22.3 45.0 42 43 A R E -A 54 0A 141 12,-1.8 12,-3.0 0, 0.0 2,-0.4 -0.984 60.7-111.4-157.1 155.2 -26.7 22.6 42.2 43 44 A K E -A 53 0A 111 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.727 21.6-172.2 -85.5 128.9 -24.6 20.6 39.8 44 45 A L E - 0 0 96 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.652 57.1 -70.9 -94.9 -20.3 -20.9 20.9 40.4 45 46 A G E -A 52 0A 30 7,-1.4 7,-3.4 2,-0.0 -1,-0.4 -0.925 41.3-115.3 157.0-177.3 -19.8 19.0 37.3 46 47 A R E -A 51 0A 163 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.962 17.9-172.0-155.9 143.1 -19.7 15.6 35.6 47 48 A G - 0 0 43 3,-1.7 -2,-0.0 -2,-0.3 5,-0.0 -0.146 53.5 -64.9-110.1-155.8 -17.0 13.2 34.4 48 49 A K S S+ 0 0 159 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.871 129.6 27.1 -61.5 -39.9 -17.0 10.0 32.4 49 50 A Y S S+ 0 0 67 1,-0.1 21,-3.1 20,-0.1 2,-0.3 0.483 120.7 14.0-112.7 -8.4 -19.0 8.0 34.9 50 51 A S E - B 0 69A 13 19,-0.3 -3,-1.7 21,-0.1 2,-0.4 -0.991 56.2-120.5-163.0 165.2 -21.2 10.3 36.9 51 52 A E E -AB 46 68A 48 17,-2.2 17,-2.9 -2,-0.3 2,-0.4 -0.963 32.8-145.8-114.3 135.3 -22.8 13.7 37.5 52 53 A V E -AB 45 67A 36 -7,-3.4 -8,-2.7 -2,-0.4 -7,-1.4 -0.858 17.7-177.6-114.8 133.0 -21.9 15.5 40.7 53 54 A F E -AB 43 66A 28 13,-2.6 13,-2.8 -2,-0.4 2,-0.4 -0.974 29.1-132.4-130.7 141.2 -24.3 17.7 42.8 54 55 A E E +AB 42 65A 22 -12,-3.0 -13,-2.9 -2,-0.4 -12,-1.8 -0.771 46.3 165.5 -77.2 135.5 -24.2 19.8 45.9 55 56 A A E -AB 40 64A 0 9,-2.4 9,-2.0 -2,-0.4 2,-0.4 -0.827 33.4-122.0-142.5 178.2 -27.3 18.8 47.9 56 57 A I E -AB 39 63A 56 -17,-1.9 -17,-2.4 -2,-0.3 2,-1.0 -0.995 14.6-136.1-127.6 136.2 -28.8 19.0 51.3 57 58 A N E >>> -AB 38 62A 18 5,-3.2 4,-2.1 -2,-0.4 3,-1.4 -0.830 19.0-160.9 -86.8 101.5 -29.9 16.2 53.6 58 59 A I T 345S+ 0 0 105 -21,-2.1 -1,-0.1 -2,-1.0 -20,-0.1 0.514 83.0 64.9 -67.0 -5.5 -33.3 17.6 54.7 59 60 A T T 345S+ 0 0 102 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.727 123.7 13.1 -86.9 -29.3 -33.3 15.2 57.7 60 61 A N T <45S- 0 0 84 -3,-1.4 -2,-0.2 2,-0.1 3,-0.1 0.371 98.9-123.0-122.1 -1.0 -30.3 16.8 59.4 61 62 A N T <5 + 0 0 124 -4,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.569 62.9 146.2 68.1 13.2 -30.0 20.0 57.3 62 63 A E E < -B 57 0A 115 -5,-0.7 -5,-3.2 1,-0.1 2,-0.3 -0.478 52.6-115.9 -84.4 148.3 -26.4 19.0 56.4 63 64 A K E +B 56 0A 117 -7,-0.2 51,-0.9 -2,-0.2 2,-0.3 -0.603 41.5 172.5 -74.8 140.0 -24.7 19.7 53.1 64 65 A V E -BC 55 113A 9 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.5 -0.885 30.9-121.1-138.0 172.5 -23.8 16.6 51.2 65 66 A V E -BC 54 112A 31 47,-2.0 47,-3.1 -2,-0.3 2,-0.5 -0.986 22.4-160.0-118.8 128.5 -22.4 15.7 47.8 66 67 A V E -BC 53 111A 6 -13,-2.8 -13,-2.6 -2,-0.5 2,-0.6 -0.941 4.1-167.0-112.8 120.7 -24.4 13.4 45.5 67 68 A K E -BC 52 110A 12 43,-3.0 43,-2.6 -2,-0.5 2,-0.7 -0.929 8.8-157.5-106.8 110.0 -22.7 11.5 42.7 68 69 A I E -BC 51 109A 16 -17,-2.9 -17,-2.2 -2,-0.6 41,-0.2 -0.812 18.6-135.6 -92.7 115.5 -25.3 10.1 40.3 69 70 A L E -B 50 0A 7 39,-2.4 -19,-0.3 -2,-0.7 -20,-0.1 -0.473 11.0-125.5 -81.1 133.9 -23.7 7.2 38.4 70 71 A K - 0 0 73 -21,-3.1 2,-2.4 -2,-0.2 -1,-0.1 -0.434 32.8-102.4 -72.5 151.7 -24.1 6.8 34.7 71 72 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.357 86.9 97.3 -77.5 66.4 -25.5 3.4 33.4 72 73 A V S S+ 0 0 62 -2,-2.4 -2,-0.1 -23,-0.2 4,-0.1 -0.995 75.1 13.1-156.4 145.3 -22.1 2.0 32.2 73 74 A K > - 0 0 110 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 0.962 67.2-178.8 49.3 60.5 -19.3 -0.3 33.4 74 75 A K T >> + 0 0 146 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.677 69.6 72.8 -70.0 -21.1 -21.5 -1.5 36.2 75 76 A K H 3> S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.861 95.6 56.1 -55.0 -36.9 -18.8 -3.8 37.7 76 77 A K H <> S+ 0 0 39 -3,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.759 97.0 63.8 -65.4 -29.2 -17.2 -0.5 38.8 77 78 A I H <> S+ 0 0 27 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.945 108.2 37.1 -68.1 -50.1 -20.4 0.6 40.7 78 79 A K H X S+ 0 0 73 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.791 115.9 57.0 -69.3 -29.6 -20.4 -2.3 43.3 79 80 A R H X S+ 0 0 21 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.944 110.1 42.6 -66.4 -46.7 -16.6 -2.1 43.4 80 81 A E H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.932 114.7 50.7 -65.4 -46.6 -16.6 1.6 44.4 81 82 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.1 47.1 -55.0 -48.6 -19.5 1.1 46.8 82 83 A K H X S+ 0 0 27 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.899 112.8 48.3 -64.3 -41.0 -17.7 -1.9 48.5 83 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 110.8 50.9 -65.7 -47.2 -14.4 -0.1 48.8 84 85 A L H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 12,-0.3 0.875 113.9 45.4 -55.7 -40.4 -16.0 3.1 50.2 85 86 A E H >< S+ 0 0 44 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.908 112.5 50.2 -70.4 -41.8 -17.8 0.9 52.8 86 87 A N H 3< S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 117.8 39.9 -62.5 -37.0 -14.6 -1.1 53.7 87 88 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.2 0.471 83.6 131.8 -93.8 -4.4 -12.6 2.1 54.2 88 89 A R T << S+ 0 0 109 -4,-0.6 7,-0.1 -3,-0.5 6,-0.1 -0.224 74.3 18.2 -58.2 134.4 -15.3 4.1 55.9 89 90 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.284 92.9 134.2 87.6 -8.7 -14.0 5.8 59.1 90 91 A G S X S- 0 0 8 -3,-2.2 3,-1.8 1,-0.2 -1,-0.3 -0.318 71.5 -73.3 -72.7 157.7 -10.4 5.5 58.0 91 92 A P T 3 S- 0 0 60 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 -0.342 111.7 -12.5 -58.7 122.6 -8.0 8.5 58.4 92 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.8 -2,-0.1 2,-0.4 0.654 97.2 138.8 58.6 24.3 -8.7 11.1 55.7 93 94 A I B < -e 172 0B 3 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.840 61.4-109.5 -94.3 131.8 -10.9 8.8 53.7 94 95 A I - 0 0 6 78,-1.8 2,-0.6 -2,-0.4 -4,-0.1 -0.343 35.0-122.6 -59.4 137.7 -14.1 10.4 52.3 95 96 A T - 0 0 45 -7,-0.1 18,-2.1 -6,-0.1 2,-0.8 -0.773 9.2-145.9 -89.1 120.4 -17.2 9.2 54.1 96 97 A L E -D 112 0A 2 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.780 19.4-179.4 -77.1 112.8 -20.0 7.6 52.2 97 98 A A E - 0 0 57 14,-2.2 2,-0.3 -2,-0.8 15,-0.2 0.778 58.9 -12.8 -82.8 -33.9 -23.1 8.7 54.1 98 99 A D E -D 111 0A 32 13,-1.8 13,-2.7 -65,-0.1 2,-0.4 -0.988 46.3-140.9-161.8 163.4 -25.7 7.0 51.9 99 100 A I E +D 110 0A 5 -2,-0.3 -66,-3.5 -68,-0.3 2,-0.3 -0.986 31.8 168.7-132.9 125.3 -26.5 5.1 48.8 100 101 A V E -D 109 0A 7 9,-2.4 9,-2.7 -2,-0.4 2,-0.6 -0.933 37.5-112.9-133.6 157.0 -29.9 5.9 47.1 101 102 A K E -D 108 0A 119 -68,-0.4 -66,-0.2 -2,-0.3 -33,-0.0 -0.837 33.1-132.4 -89.4 120.3 -31.6 5.1 43.8 102 103 A D > - 0 0 24 5,-2.4 4,-1.8 -2,-0.6 5,-0.3 -0.596 8.3-143.8 -71.7 131.3 -32.1 8.3 41.8 103 104 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.769 95.7 42.6 -66.6 -29.9 -35.7 8.5 40.5 104 105 A V T 4 S+ 0 0 128 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.906 123.7 33.0 -83.9 -46.1 -34.8 10.1 37.2 105 106 A S T 4 S- 0 0 43 2,-0.2 -1,-0.1 1,-0.0 -4,-0.0 0.701 89.5-143.5 -83.2 -22.2 -31.6 8.2 36.3 106 107 A R < + 0 0 220 -4,-1.8 -5,-0.0 1,-0.3 -1,-0.0 0.665 65.8 111.1 60.3 22.4 -32.8 4.9 37.8 107 108 A T S S- 0 0 13 -5,-0.3 -5,-2.4 1,-0.1 -1,-0.3 -0.745 79.6 -78.1-120.6 164.2 -29.2 4.4 38.8 108 109 A P E - 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0 0 86 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.957 52.4-133.9-137.7 113.6 5.5 23.3 37.9 229 230 A E S S+ 0 0 87 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.928 92.4 10.4-121.0 107.5 2.1 22.1 37.0 230 231 A P S S- 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.682 76.2-155.4 -83.2 169.9 2.3 19.3 36.0 231 232 A F S S+ 0 0 9 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.950 93.6 38.8 -70.8 -47.7 5.8 18.2 36.6 232 233 A F S S- 0 0 3 -37,-0.3 2,-1.1 -4,-0.1 -1,-0.3 -0.887 79.5-170.2-106.2 102.6 5.8 15.6 33.8 233 234 A H + 0 0 85 -2,-0.7 2,-0.1 -3,-0.2 -38,-0.0 -0.550 10.7 176.6-103.5 68.0 3.9 17.4 31.0 234 235 A G - 0 0 1 -2,-1.1 6,-0.1 1,-0.1 -39,-0.1 -0.463 31.5-145.6 -75.9 142.1 3.3 14.7 28.4 235 236 A H S S- 0 0 134 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.698 85.0 -14.2 -70.8 -26.5 1.2 15.4 25.2 236 237 A D S > S- 0 0 70 -42,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.886 91.4 -73.7-162.0-176.8 -0.1 11.8 25.3 237 238 A N H > S+ 0 0 71 -2,-0.3 4,-0.8 2,-0.2 -3,-0.0 0.759 129.3 47.1 -67.4 -23.5 0.7 8.5 27.0 238 239 A Y H >> S+ 0 0 80 2,-0.2 4,-1.5 1,-0.1 3,-0.7 0.931 112.6 46.3 -81.9 -50.2 3.8 7.9 24.9 239 240 A D H 3> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.839 103.7 68.0 -60.6 -27.5 5.2 11.4 25.2 240 241 A Q H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.911 101.2 45.6 -57.3 -44.1 4.5 11.0 29.0 241 242 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 3,-1.7 0.942 109.6 53.9 -65.6 -47.8 9.8 11.0 32.6 245 246 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.810 100.0 61.8 -58.0 -31.4 12.9 9.7 30.7 246 247 A K H 3< S+ 0 0 97 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.693 116.8 30.5 -68.2 -18.6 14.2 13.2 30.3 247 248 A V H <4 S+ 0 0 15 -3,-1.7 31,-3.1 -4,-0.4 -2,-0.2 0.816 130.5 33.1-102.9 -50.8 14.4 13.6 34.1 248 249 A L H < S- 0 0 2 -4,-3.0 4,-0.3 29,-0.2 29,-0.3 0.619 110.6-122.0 -86.8 -13.8 15.1 10.0 35.3 249 250 A G X - 0 0 2 -4,-1.7 4,-0.7 -5,-0.4 27,-0.2 0.192 10.6-100.2 89.7 155.3 17.2 9.0 32.3 250 251 A T H > S+ 0 0 3 25,-2.0 4,-2.6 2,-0.2 5,-0.2 0.774 110.5 63.7 -81.6 -30.1 16.8 6.3 29.7 251 252 A E H > S+ 0 0 126 24,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.936 104.9 46.0 -65.9 -43.3 19.4 3.8 31.1 252 253 A D H > S+ 0 0 68 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.825 112.0 54.7 -64.4 -30.8 17.4 3.2 34.4 253 254 A L H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.942 109.2 44.9 -64.3 -48.6 14.3 2.9 32.2 254 255 A Y H X S+ 0 0 72 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 111.6 54.0 -65.1 -34.2 15.9 0.2 30.1 255 256 A D H X S+ 0 0 94 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.920 108.5 50.6 -64.0 -41.8 17.1 -1.5 33.3 256 257 A Y H X S+ 0 0 7 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.942 112.6 43.9 -58.7 -53.2 13.5 -1.4 34.6 257 258 A I H <>S+ 0 0 8 -4,-2.5 5,-2.7 1,-0.2 4,-0.4 0.889 113.9 51.7 -63.4 -36.1 12.0 -3.0 31.5 258 259 A D H ><5S+ 0 0 98 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.890 105.9 55.6 -65.0 -40.4 14.9 -5.6 31.4 259 260 A K H 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.2 35.6 -58.1 -42.4 14.3 -6.5 35.1 260 261 A Y T 3<5S- 0 0 2 -4,-1.6 -256,-2.6 -5,-0.1 -1,-0.2 0.328 109.6-120.0 -98.2 9.8 10.6 -7.4 34.4 261 262 A N T < 5 + 0 0 94 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.853 59.4 157.7 53.9 39.6 11.3 -8.8 30.9 262 263 A I < - 0 0 20 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.644 35.7-142.5 -91.6 147.9 9.0 -6.2 29.5 263 264 A E - 0 0 167 -2,-0.3 2,-0.2 -60,-0.2 -5,-0.0 -0.965 17.9-127.9-114.3 124.5 9.2 -5.1 25.9 264 265 A L - 0 0 13 -2,-0.5 5,-0.1 1,-0.1 -61,-0.1 -0.468 34.9 -95.9 -67.2 137.8 8.7 -1.5 25.0 265 266 A D > - 0 0 55 -2,-0.2 3,-1.9 1,-0.2 4,-0.3 -0.323 38.0-124.3 -39.7 126.2 6.1 -0.7 22.4 266 267 A P G > S+ 0 0 84 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.644 104.3 77.0 -62.0 -14.3 8.4 -0.3 19.3 267 268 A R G > S+ 0 0 128 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.742 85.1 64.4 -66.7 -21.9 7.0 3.2 18.7 268 269 A F G X> S+ 0 0 2 -3,-1.9 4,-2.6 1,-0.2 3,-1.0 0.769 80.6 82.8 -67.9 -25.9 9.3 4.4 21.5 269 270 A N G <4 S+ 0 0 109 -3,-1.1 4,-0.3 -4,-0.3 -1,-0.2 0.813 99.8 34.1 -49.4 -37.9 12.3 3.4 19.4 270 271 A D G <4 S+ 0 0 159 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.571 126.0 37.8 -97.9 -8.8 12.3 6.7 17.5 271 272 A I T <4 S+ 0 0 81 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.626 98.7 70.0-114.1 -20.6 11.0 9.1 20.3 272 273 A L S < S+ 0 0 0 -4,-2.6 -3,-0.1 1,-0.1 -2,-0.1 0.875 71.2 174.1 -72.2 -38.4 12.6 8.0 23.5 273 274 A G - 0 0 44 -5,-0.3 2,-0.4 -4,-0.3 -1,-0.1 -0.144 42.9 -61.5 64.9-162.0 16.2 9.1 22.6 274 275 A R + 0 0 230 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.989 57.8 174.2-124.5 126.8 19.1 8.9 25.1 275 276 A H - 0 0 53 -2,-0.4 -25,-2.0 -30,-0.1 -24,-0.7 -0.978 24.8-135.1-134.3 137.9 18.9 10.9 28.4 276 277 A S - 0 0 81 -2,-0.4 -27,-0.4 -27,-0.2 2,-0.3 -0.537 39.2 -98.5 -78.2 155.5 21.1 11.1 31.5 277 278 A R - 0 0 84 -29,-0.3 2,-0.2 -2,-0.2 -29,-0.2 -0.582 43.8-136.3 -66.1 137.2 19.4 11.1 34.9 278 279 A K - 0 0 38 -31,-3.1 2,-0.4 -2,-0.3 -31,-0.0 -0.649 11.7-115.6 -94.8 153.9 19.2 14.7 36.0 279 280 A R > - 0 0 205 -2,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.744 27.4-121.2 -83.5 142.0 20.0 16.0 39.5 280 281 A W G > S+ 0 0 19 -2,-0.4 3,-1.9 1,-0.3 4,-0.2 0.753 107.4 74.1 -58.0 -24.7 16.9 17.4 41.2 281 282 A E G > S+ 0 0 124 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.686 77.8 78.4 -59.5 -21.1 18.7 20.8 41.6 282 283 A R G < S+ 0 0 170 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.817 94.5 47.9 -56.4 -29.0 18.1 21.2 37.9 283 284 A F G < S+ 0 0 36 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.417 88.8 102.2 -98.6 -0.5 14.5 22.1 38.7 284 285 A V < + 0 0 38 -3,-1.3 2,-0.3 -4,-0.2 -58,-0.1 -0.675 44.0 160.7 -87.2 136.1 15.2 24.6 41.5 285 286 A H >> - 0 0 77 -2,-0.3 3,-1.8 -59,-0.0 4,-1.7 -0.922 55.6 -85.1-147.4 171.5 14.9 28.3 40.8 286 287 A S T 34 S+ 0 0 82 -2,-0.3 4,-0.3 1,-0.3 -2,-0.0 0.788 123.9 51.8 -47.2 -34.8 14.5 31.7 42.6 287 288 A E T 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.616 120.2 29.5 -85.0 -16.7 10.7 31.3 42.6 288 289 A N T X4 S+ 0 0 0 -3,-1.8 3,-2.3 2,-0.1 4,-0.4 0.429 87.6 101.8-118.5 -3.8 10.5 27.8 44.2 289 290 A Q G >< S+ 0 0 113 -4,-1.7 3,-1.3 1,-0.3 -2,-0.1 0.813 75.7 61.9 -55.8 -34.6 13.7 27.7 46.3 290 291 A H G 3 S+ 0 0 106 -4,-0.3 -1,-0.3 1,-0.3 -161,-0.2 0.649 104.4 48.7 -68.8 -15.1 11.7 28.4 49.5 291 292 A L G < S+ 0 0 0 -3,-2.3 2,-0.4 -66,-0.3 -1,-0.3 0.438 99.2 84.0 -99.4 -5.6 9.8 25.1 49.0 292 293 A V < + 0 0 29 -3,-1.3 3,-0.1 -4,-0.4 -163,-0.0 -0.802 47.1 157.9-108.5 138.7 12.9 23.0 48.4 293 294 A S > - 0 0 16 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.950 55.0-102.7-146.4 162.9 15.2 21.4 51.0 294 295 A P H > S+ 0 0 104 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.918 125.0 52.4 -54.2 -42.1 17.6 18.5 51.0 295 296 A E H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.887 108.3 49.6 -58.9 -44.3 15.0 16.4 52.8 296 297 A A H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.927 113.1 46.7 -59.7 -48.8 12.3 17.3 50.1 297 298 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.887 113.2 47.7 -63.5 -42.2 14.7 16.3 47.3 298 299 A D H X S+ 0 0 63 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.908 114.0 48.2 -65.1 -42.1 15.7 13.0 49.0 299 300 A F H >X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 3,-0.7 0.957 112.6 47.9 -64.4 -49.9 12.1 12.2 49.7 300 301 A L H >X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 3,-1.2 0.917 108.3 54.8 -52.9 -45.9 11.0 13.0 46.1 301 302 A D H 3< S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.3 52.5 -59.5 -29.5 13.9 10.9 44.8 302 303 A K H << S+ 0 0 59 -4,-1.2 10,-2.1 -3,-0.7 -1,-0.3 0.554 113.0 43.8 -87.3 -12.8 12.7 7.9 46.8 303 304 A L H << S+ 0 0 0 -3,-1.2 2,-1.8 -4,-0.8 -2,-0.2 0.812 104.4 63.3 -91.9 -45.9 9.1 8.2 45.4 304 305 A L S < S+ 0 0 0 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.484 70.1 133.7 -88.4 75.0 10.0 8.8 41.7 305 306 A R - 0 0 67 -2,-1.8 6,-0.1 -3,-0.2 5,-0.0 -0.953 56.4-137.6-118.5 138.3 11.7 5.5 40.8 306 307 A Y S S+ 0 0 6 -2,-0.4 2,-0.8 -58,-0.1 -106,-0.2 0.941 91.6 76.8 -55.6 -50.7 10.9 3.6 37.7 307 308 A D S >> S- 0 0 22 1,-0.2 3,-1.8 -3,-0.1 4,-0.8 -0.524 71.1-158.4 -70.0 107.5 11.0 0.3 39.6 308 309 A H G >4 S+ 0 0 2 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.833 92.4 58.8 -55.8 -33.6 7.7 0.2 41.5 309 310 A Q G 34 S+ 0 0 44 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.702 101.9 54.3 -65.2 -25.5 9.3 -2.2 44.0 310 311 A S G <4 S+ 0 0 55 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.652 86.4 103.9 -84.2 -17.7 12.0 0.3 44.9 311 312 A R S << S- 0 0 8 -4,-0.8 -8,-0.2 -3,-0.6 -9,-0.1 -0.284 82.6 -96.7 -69.1 149.4 9.6 3.2 45.8 312 313 A L - 0 0 23 -10,-2.1 -1,-0.1 -13,-0.2 2,-0.1 -0.393 36.7-127.0 -57.6 137.7 9.0 4.1 49.4 313 314 A T > - 0 0 30 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.377 31.0-101.8 -71.5 163.4 5.8 2.5 50.8 314 315 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -170,-0.1 0.914 124.9 47.9 -56.9 -42.8 3.3 5.0 52.4 315 316 A R H > S+ 0 0 143 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.904 111.4 49.4 -65.8 -43.9 4.5 4.0 55.9 316 317 A E H >4 S+ 0 0 100 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.899 108.6 54.9 -58.6 -42.4 8.2 4.4 54.9 317 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 6,-0.2 0.907 103.4 54.8 -56.8 -44.3 7.3 7.8 53.5 318 319 A M H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 103.2 57.3 -65.1 -23.3 5.8 8.8 56.8 319 320 A E T << S+ 0 0 130 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.455 83.8 120.0 -77.5 -7.1 9.2 7.9 58.5 320 321 A H S X S- 0 0 11 -3,-1.9 3,-2.2 -4,-0.2 4,-0.3 -0.347 74.6-122.5 -73.9 142.2 11.1 10.3 56.2 321 322 A P G > S+ 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.694 105.7 76.6 -47.2 -24.5 13.1 13.2 57.6 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 4,-0.1 0.819 96.4 47.6 -57.6 -32.2 11.0 15.6 55.5 323 324 A F G X S+ 0 0 3 -3,-2.2 3,-1.0 -6,-0.2 -1,-0.3 0.449 82.5 94.2 -93.7 0.9 8.2 15.2 58.0 324 325 A Y T < S+ 0 0 176 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.851 85.6 52.1 -60.0 -34.6 10.3 15.7 61.2 325 326 A T T 3 S+ 0 0 75 -3,-0.4 2,-0.4 -4,-0.4 -1,-0.2 0.663 89.1 97.1 -76.8 -16.5 9.3 19.4 61.2 326 327 A V S < S- 0 0 6 -3,-1.0 2,-0.2 -4,-0.1 -195,-0.0 -0.627 81.7-119.1 -81.1 124.3 5.6 18.6 61.0 327 328 A V 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.423 360.0 360.0 -63.0 128.2 3.9 18.7 64.4 328 329 A K 0 0 151 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.819 360.0 360.0 -97.0 360.0 2.3 15.3 65.4