==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-NOV-07 3BE9 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR Z.NIE,C.PERRETTA,P.ERICKSON,S.MARGOSIAK,J.LU,A.AVERILL, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.5 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.9 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 4 0 1 2 1 0 1 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 . 0 1 0 2 1 0 0 2 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 6 A M 0 0 211 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.1 19.8 -12.7 -11.3 2 7 A S + 0 0 4 201,-0.1 178,-0.5 178,-0.1 2,-0.3 -0.850 360.0 173.3-111.8 144.8 17.8 -10.9 -8.7 3 8 A K - 0 0 134 -2,-0.4 202,-0.1 176,-0.1 2,-0.1 -0.962 40.1 -88.0-143.7 159.5 16.7 -7.3 -8.6 4 9 A A - 0 0 2 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.417 25.9-140.9 -67.4 143.0 14.5 -5.1 -6.4 5 10 A R S S+ 0 0 154 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.607 86.2 29.5 -80.6 -11.8 10.8 -5.1 -7.4 6 11 A V S S+ 0 0 57 1,-0.1 200,-0.2 2,-0.0 -2,-0.1 -0.958 119.1 15.3-143.1 160.2 10.7 -1.4 -6.6 7 12 A Y S > S+ 0 0 63 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.741 75.1 141.0 49.6 28.1 13.0 1.7 -6.7 8 13 A A T 3 + 0 0 20 1,-0.2 3,-0.3 -4,-0.2 4,-0.2 0.862 69.4 40.5 -69.1 -34.7 15.4 -0.3 -8.8 9 14 A D T 3> S+ 0 0 88 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.172 79.6 110.3-101.0 18.4 16.4 2.6 -11.0 10 15 A V H <> S+ 0 0 16 -3,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.948 86.8 37.4 -57.4 -51.7 16.6 5.4 -8.4 11 16 A N H 4 S+ 0 0 1 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.765 112.2 60.9 -73.7 -22.3 20.4 5.7 -8.6 12 17 A V H 4 S+ 0 0 98 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.927 109.3 41.4 -67.5 -44.0 20.4 5.1 -12.3 13 18 A L H < S+ 0 0 134 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.648 102.4 81.1 -80.0 -17.6 18.2 8.2 -12.9 14 19 A R S < S- 0 0 77 -4,-1.0 5,-0.1 -5,-0.2 0, 0.0 -0.513 95.2 -85.4 -88.5 159.4 19.9 10.5 -10.4 15 20 A P >> - 0 0 82 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.291 39.2-113.3 -61.8 148.8 23.2 12.4 -11.1 16 21 A K H 3> S+ 0 0 121 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.786 113.3 68.2 -51.9 -32.0 26.4 10.4 -10.5 17 22 A E H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.821 90.1 64.5 -60.2 -31.4 27.2 12.8 -7.6 18 23 A Y H <4 S+ 0 0 27 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 120.2 16.5 -59.5 -46.6 24.3 11.4 -5.6 19 24 A W H < S+ 0 0 70 -4,-0.6 2,-2.6 -3,-0.5 3,-0.2 0.596 99.9 90.9-105.1 -15.7 25.7 7.9 -5.3 20 25 A D >< + 0 0 45 -4,-2.5 3,-2.5 1,-0.2 4,-0.2 -0.394 51.4 167.4 -79.6 64.7 29.4 8.2 -6.2 21 26 A Y G > + 0 0 21 -2,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.687 63.7 69.9 -55.3 -21.8 30.1 8.8 -2.5 22 27 A E G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.663 90.5 61.8 -73.0 -12.3 33.9 8.4 -3.1 23 28 A A G < S+ 0 0 64 -3,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 0.450 81.9 122.1 -88.3 -0.5 33.8 11.7 -5.0 24 29 A L < - 0 0 21 -3,-1.5 2,-0.6 -4,-0.2 50,-0.1 -0.378 51.4-156.7 -66.7 135.8 32.7 13.4 -1.7 25 30 A T - 0 0 104 -2,-0.1 2,-0.2 49,-0.0 -1,-0.1 -0.942 20.9-134.8-115.3 106.0 34.8 16.1 -0.3 26 31 A V - 0 0 26 -2,-0.6 2,-0.7 1,-0.1 48,-0.0 -0.437 9.2-150.9 -68.5 128.1 34.1 16.3 3.4 27 32 A Q - 0 0 145 -2,-0.2 2,-0.3 69,-0.0 68,-0.2 -0.881 17.8-148.5 -98.8 115.1 33.6 19.8 4.9 28 33 A W - 0 0 94 -2,-0.7 68,-0.2 1,-0.1 2,-0.0 -0.655 8.8-159.6 -90.9 141.6 34.7 19.9 8.5 29 34 A G - 0 0 33 66,-2.9 2,-0.6 -2,-0.3 68,-0.3 0.006 42.9 -64.3 -94.7-156.0 33.2 22.0 11.2 30 35 A E > - 0 0 94 1,-0.1 3,-1.4 66,-0.1 4,-0.2 -0.874 33.8-156.1-102.9 121.6 34.7 23.1 14.5 31 36 A Q G > S+ 0 0 64 -2,-0.6 3,-0.9 66,-0.3 -1,-0.1 0.700 92.2 61.3 -66.1 -21.1 35.4 20.2 16.9 32 37 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.600 83.6 81.5 -81.9 -9.7 35.3 22.5 20.0 33 38 A D G < S+ 0 0 34 -3,-1.4 21,-2.8 1,-0.1 2,-0.5 0.659 90.7 56.9 -67.3 -15.3 31.6 23.4 19.1 34 39 A Y E < -A 53 0A 29 -3,-0.9 2,-0.4 19,-0.2 19,-0.2 -0.956 69.9-162.0-127.5 118.9 30.6 20.2 20.8 35 40 A E E -A 52 0A 117 17,-2.5 17,-2.1 -2,-0.5 2,-0.4 -0.806 21.8-122.6-100.3 136.7 31.3 19.3 24.4 36 41 A V E +A 51 0A 80 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.601 28.8 174.4 -78.2 128.0 31.1 15.7 25.7 37 42 A V E - 0 0 76 13,-3.1 2,-0.3 -2,-0.4 14,-0.2 0.858 62.3 -34.8 -97.0 -53.1 28.8 15.2 28.6 38 43 A R E -A 50 0A 164 12,-1.5 12,-3.8 0, 0.0 -1,-0.4 -0.978 60.8 -92.1-168.1 157.0 28.9 11.4 29.1 39 44 A K E +A 49 0A 108 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.516 37.2 168.1 -74.6 139.5 29.1 8.1 27.2 40 45 A V E - 0 0 80 8,-3.3 2,-0.3 1,-0.3 9,-0.2 0.533 58.7 -11.1-127.4 -17.4 25.8 6.6 26.3 41 46 A G E -A 48 0A 25 7,-1.9 7,-2.1 2,-0.0 -1,-0.3 -0.939 51.6-156.1-165.1-173.3 26.7 3.8 23.9 42 47 A R E -A 47 0A 191 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.980 2.9-168.1-170.9 163.9 29.2 2.1 21.7 43 48 A G E > -A 46 0A 26 3,-2.5 3,-0.9 -2,-0.3 -2,-0.0 -0.898 48.4 -95.2-149.9 172.7 29.8 -0.1 18.7 44 49 A K T 3 S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.662 128.0 44.7 -71.2 -9.1 32.7 -2.0 17.3 45 50 A Y T 3 S+ 0 0 113 1,-0.1 21,-2.4 20,-0.0 2,-0.3 0.429 121.7 1.6-110.6 -2.2 33.2 1.1 15.1 46 51 A S E < -AB 43 65A 4 -3,-0.9 -3,-2.5 19,-0.2 2,-0.4 -0.996 55.5-115.0-170.7 174.5 32.7 3.9 17.5 47 52 A E E -AB 42 64A 77 17,-2.4 17,-2.9 -2,-0.3 2,-0.5 -0.990 31.5-150.8-124.1 132.3 32.0 5.4 20.9 48 53 A V E +AB 41 63A 29 -7,-2.1 -8,-3.3 -2,-0.4 -7,-1.9 -0.910 15.8 179.6-114.1 131.0 28.8 7.4 21.5 49 54 A F E -AB 39 62A 27 13,-2.9 13,-2.9 -2,-0.5 2,-0.4 -0.905 32.8-119.7-129.1 153.7 28.4 10.3 23.9 50 55 A E E +AB 38 61A 16 -12,-3.8 -13,-3.1 -2,-0.3 -12,-1.5 -0.742 49.9 172.5 -83.1 135.6 25.7 12.7 25.0 51 56 A G E -AB 36 60A 1 9,-3.0 9,-1.7 -2,-0.4 2,-0.4 -0.787 29.4-125.1-137.6-178.4 27.0 16.1 24.2 52 57 A I E -AB 35 59A 49 -17,-2.1 -17,-2.5 -2,-0.2 2,-0.7 -0.995 18.5-128.9-137.6 131.4 26.1 19.8 24.1 53 58 A N E >> -AB 34 58A 21 5,-2.7 4,-2.1 -2,-0.4 5,-0.5 -0.675 19.0-151.4 -74.8 112.0 26.4 22.3 21.2 54 59 A V T 45S+ 0 0 52 -21,-2.8 -1,-0.2 -2,-0.7 -20,-0.1 0.673 90.0 58.7 -61.5 -16.9 28.3 25.2 22.8 55 60 A N T 45S+ 0 0 103 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.981 124.3 12.6 -75.3 -62.9 26.6 27.6 20.4 56 61 A N T 45S- 0 0 73 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.377 94.1-126.2 -98.2 2.9 22.9 27.0 21.2 57 62 A N T <5 + 0 0 119 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.787 62.4 142.6 57.3 28.0 23.4 25.0 24.4 58 63 A E E < -B 53 0A 122 -5,-0.5 -5,-2.7 1,-0.1 -1,-0.2 -0.712 54.9-101.3-100.7 153.0 21.2 22.2 22.9 59 64 A K E +B 52 0A 126 -2,-0.3 51,-0.5 -7,-0.2 2,-0.3 -0.271 45.4 164.7 -68.6 155.4 21.7 18.5 23.4 60 65 A C E -B 51 0A 2 -9,-1.7 -9,-3.0 49,-0.2 2,-0.5 -0.948 35.2-111.9-159.7 170.4 23.3 16.4 20.7 61 66 A I E -BC 50 108A 31 47,-3.0 47,-2.9 -2,-0.3 2,-0.6 -0.972 22.4-154.8-117.2 129.1 24.9 13.0 20.2 62 67 A I E -BC 49 107A 6 -13,-2.9 -13,-2.9 -2,-0.5 2,-0.8 -0.917 5.4-167.4-107.4 116.9 28.6 12.7 19.4 63 68 A K E -BC 48 106A 12 43,-2.5 43,-2.3 -2,-0.6 2,-0.6 -0.887 7.7-162.1-105.5 101.1 29.6 9.6 17.6 64 69 A I E -BC 47 105A 42 -17,-2.9 -17,-2.4 -2,-0.8 2,-0.2 -0.753 14.8-138.1 -87.8 122.5 33.4 9.3 17.7 65 70 A L E -B 46 0A 9 39,-2.7 -19,-0.2 -2,-0.6 3,-0.1 -0.565 3.8-138.1 -86.0 142.1 34.7 6.9 15.1 66 71 A K - 0 0 85 -21,-2.4 -1,-0.0 -2,-0.2 -21,-0.0 -0.441 62.1 -50.0 -84.9 166.1 37.4 4.4 15.6 67 72 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.111 77.0 169.9 -41.4 118.5 40.1 4.0 12.8 68 73 A V - 0 0 50 -3,-0.1 -3,-0.0 3,-0.0 5,-0.0 -0.995 37.1 -99.8-139.6 144.1 38.0 3.6 9.6 69 74 A K > - 0 0 169 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.278 31.0-120.6 -61.7 144.1 38.9 3.6 5.9 70 75 A K H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.881 112.0 53.0 -50.8 -44.7 38.3 6.8 4.0 71 76 A K H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 108.4 48.3 -59.5 -49.3 35.9 5.0 1.6 72 77 A K H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 111.7 49.1 -61.0 -41.2 33.7 3.6 4.4 73 78 A I H X S+ 0 0 19 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.848 107.9 53.7 -70.0 -33.9 33.4 6.9 6.2 74 79 A K H X S+ 0 0 35 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.831 105.8 55.9 -68.7 -30.2 32.4 8.8 3.1 75 80 A R H X S+ 0 0 32 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.939 108.3 44.8 -66.9 -48.8 29.7 6.3 2.5 76 81 A E H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.938 117.3 46.4 -61.2 -46.0 28.0 6.8 5.9 77 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.949 112.9 47.5 -61.5 -52.6 28.3 10.6 5.5 78 83 A K H X S+ 0 0 37 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.933 113.9 48.6 -56.0 -47.7 27.0 10.8 1.9 79 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.911 111.3 49.6 -59.7 -43.5 24.1 8.5 2.8 80 85 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 -5,-0.2 12,-0.3 0.899 113.3 46.5 -62.8 -40.9 23.3 10.6 5.9 81 86 A Q H < S+ 0 0 86 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.912 111.1 52.1 -68.3 -41.8 23.4 13.8 3.8 82 87 A N H < S+ 0 0 26 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.864 118.5 37.2 -62.7 -34.9 21.3 12.3 1.1 83 88 A L H >< S+ 0 0 1 -4,-2.1 3,-2.7 -5,-0.2 -1,-0.2 0.653 82.4 125.5 -93.6 -14.7 18.7 11.2 3.6 84 89 A X T 3< S+ 0 0 61 -4,-1.7 7,-0.1 1,-0.3 6,-0.1 -0.185 78.0 24.2 -49.0 123.8 18.8 14.3 6.0 85 90 A G T 3 S+ 0 0 53 1,-0.4 -1,-0.3 4,-0.4 3,-0.1 0.136 91.0 127.8 105.9 -20.2 15.2 15.6 6.3 86 91 A G S X S- 0 0 8 -3,-2.7 3,-2.0 1,-0.2 -1,-0.4 -0.274 76.6 -67.9 -68.5 158.8 13.4 12.4 5.4 87 92 A P T 3 S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 54,-0.1 -0.218 113.8 -17.1 -50.4 118.5 10.6 11.0 7.6 88 93 A N T 3 S+ 0 0 25 1,-0.2 80,-2.7 -3,-0.1 2,-0.5 0.699 94.1 146.2 54.8 25.9 12.1 9.8 10.9 89 94 A I B < -e 168 0B 4 -3,-2.0 -4,-0.4 78,-0.2 -1,-0.2 -0.801 57.3-108.8 -92.0 130.9 15.7 9.7 9.6 90 95 A V - 0 0 7 78,-1.7 2,-0.6 -2,-0.5 -4,-0.1 -0.249 37.1-121.1 -54.6 143.9 18.3 10.7 12.2 91 96 A K - 0 0 86 -7,-0.1 18,-1.6 -6,-0.1 2,-0.7 -0.829 11.4-148.4-100.0 124.0 19.7 14.1 11.4 92 97 A L E +D 108 0A 19 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.784 21.5 175.2 -85.0 116.2 23.5 14.6 10.9 93 98 A L E - 0 0 91 14,-3.1 2,-0.3 -2,-0.7 15,-0.2 0.799 56.4 -6.0 -94.3 -35.2 24.2 18.1 12.2 94 99 A D E -D 107 0A 36 13,-1.5 13,-2.9 -65,-0.0 2,-0.4 -0.981 49.1-142.9-156.5 166.3 27.9 18.4 11.9 95 100 A I E +D 106 0A 9 -2,-0.3 -66,-2.9 11,-0.2 2,-0.3 -0.968 30.3 165.0-137.6 116.3 31.2 16.6 11.0 96 101 A V E -D 105 0A 4 9,-2.4 9,-3.0 -2,-0.4 2,-0.3 -0.801 16.0-160.7-128.6 170.2 34.4 17.3 13.0 97 102 A R E -D 104 0A 90 -68,-0.3 2,-0.5 7,-0.3 -66,-0.3 -0.995 27.6-111.3-151.1 150.9 37.8 15.8 13.5 98 103 A D > - 0 0 52 5,-2.2 4,-2.8 -2,-0.3 5,-0.3 -0.745 27.9-144.2 -83.7 124.5 40.6 16.0 16.0 99 104 A Q T 4 S+ 0 0 166 -2,-0.5 -1,-0.2 2,-0.2 0, 0.0 0.937 93.3 41.5 -54.6 -54.9 43.6 17.7 14.2 100 105 A H T 4 S+ 0 0 178 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.913 129.8 25.8 -62.9 -47.7 46.4 15.7 15.9 101 106 A S T 4 S- 0 0 58 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.674 92.5-135.0 -91.5 -20.4 44.8 12.3 15.8 102 107 A K < + 0 0 105 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.1 0.693 45.8 162.2 70.4 19.2 42.5 12.8 12.8 103 108 A T - 0 0 55 -5,-0.3 -5,-2.2 -36,-0.1 -1,-0.3 -0.610 27.9-146.3 -73.0 115.9 39.8 11.1 14.9 104 109 A P E - D 0 97A 16 0, 0.0 -39,-2.7 0, 0.0 2,-0.4 -0.568 13.8-166.2 -88.2 151.0 36.5 12.0 13.2 105 110 A S E -CD 64 96A 8 -9,-3.0 -9,-2.4 -41,-0.2 2,-0.5 -0.993 10.9-147.8-134.4 139.7 33.2 12.6 15.0 106 111 A L E -CD 63 95A 0 -43,-2.3 -43,-2.5 -2,-0.4 2,-0.5 -0.939 15.9-145.5-108.9 127.9 29.7 12.8 13.5 107 112 A I E +CD 62 94A 1 -13,-2.9 -14,-3.1 -2,-0.5 -13,-1.5 -0.842 23.4 177.9 -99.2 126.3 27.3 15.1 15.4 108 113 A F E -CD 61 92A 16 -47,-2.9 -47,-3.0 -2,-0.5 -16,-0.2 -0.807 35.5 -88.3-124.8 164.3 23.6 14.0 15.5 109 114 A E - 0 0 33 -18,-1.6 2,-0.4 -2,-0.3 -49,-0.2 -0.236 49.8-113.8 -62.9 158.4 20.4 15.2 16.9 110 115 A Y - 0 0 54 -51,-0.5 2,-0.4 -50,-0.1 -1,-0.1 -0.823 27.9-168.4-102.1 138.0 19.7 14.0 20.5 111 116 A V - 0 0 13 -2,-0.4 2,-2.7 48,-0.0 48,-0.1 -0.988 25.3-133.5-127.9 126.2 16.8 11.6 21.3 112 117 A N - 0 0 89 -2,-0.4 49,-0.3 46,-0.1 50,-0.2 -0.435 44.5-177.3 -75.1 72.6 15.7 10.8 24.8 113 118 A N - 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0 0 83 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.921 52.9-138.1-131.0 106.1 10.3 -12.9 22.7 225 230 A E S S+ 0 0 88 -2,-0.5 2,-0.1 1,-0.2 -9,-0.0 -0.925 90.2 13.3-113.0 114.0 13.6 -10.9 22.4 226 231 A P S S- 0 0 12 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.697 78.6-154.2 -88.2 169.3 15.1 -11.8 20.1 227 232 A F S S+ 0 0 12 -12,-0.3 2,-0.9 1,-0.3 -2,-0.1 0.957 91.3 40.4 -69.5 -50.1 12.7 -13.9 18.1 228 233 A F S S- 0 0 5 -37,-0.4 2,-1.3 -4,-0.1 -1,-0.3 -0.855 77.9-169.1-100.8 99.2 15.3 -16.0 16.3 229 234 A Y + 0 0 123 -2,-0.9 2,-0.3 -3,-0.2 -39,-0.0 -0.678 26.0 148.4 -93.6 83.9 17.9 -16.7 19.1 230 235 A G - 0 0 0 -2,-1.3 6,-0.1 1,-0.2 3,-0.1 -0.777 37.9-149.4-114.2 160.4 20.8 -18.2 17.2 231 236 A H S S+ 0 0 109 -2,-0.3 -1,-0.2 1,-0.1 -40,-0.1 0.838 72.6 14.7 -92.0 -89.4 24.5 -18.0 17.9 232 237 A D S > S- 0 0 92 1,-0.1 4,-2.7 -42,-0.1 5,-0.2 -0.233 89.9 -93.5 -81.5 176.5 26.7 -18.1 14.7 233 238 A N H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.839 125.7 50.7 -58.7 -36.8 25.5 -17.6 11.2 234 239 A H H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 113.1 45.4 -67.2 -46.3 25.0 -21.3 10.6 235 240 A D H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.873 107.1 59.3 -63.8 -37.5 22.9 -21.6 13.8 236 241 A Q H X S+ 0 0 3 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.903 107.4 47.0 -59.5 -39.0 21.0 -18.5 12.9 237 242 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.896 109.7 52.6 -69.6 -39.5 19.9 -20.2 9.7 238 243 A V H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.900 105.9 54.7 -62.3 -40.0 18.9 -23.4 11.5 239 244 A K H < S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.6 47.3 -63.1 -33.1 16.8 -21.4 13.9 240 245 A I H >X S+ 0 0 0 -4,-1.2 4,-2.8 -5,-0.2 3,-1.8 0.928 109.5 53.7 -72.9 -44.6 14.9 -19.9 11.0 241 246 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.862 100.1 60.0 -58.8 -39.4 14.4 -23.3 9.3 242 247 A K H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.484 116.8 34.0 -70.4 -0.1 12.8 -24.9 12.4 243 248 A V H <4 S+ 0 0 14 -3,-1.8 31,-3.1 -5,-0.1 -2,-0.2 0.704 126.2 34.6-116.0 -51.9 10.1 -22.3 12.2 244 249 A L H < S- 0 0 19 -4,-2.8 4,-0.4 29,-0.2 29,-0.2 0.637 110.8-120.4 -80.9 -15.3 9.5 -21.6 8.5 245 250 A G X - 0 0 2 -4,-2.2 4,-0.8 -5,-0.4 27,-0.2 0.181 13.5-100.1 88.0 149.7 10.2 -25.2 7.6 246 251 A T H > S+ 0 0 2 25,-2.6 4,-2.8 1,-0.2 5,-0.2 0.642 111.6 72.3 -80.3 -16.6 12.9 -26.6 5.3 247 252 A D H > S+ 0 0 102 24,-0.5 4,-2.7 2,-0.2 5,-0.2 0.958 100.2 45.3 -62.5 -48.9 10.6 -27.0 2.3 248 253 A G H > S+ 0 0 32 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.881 112.9 52.6 -60.6 -37.6 10.5 -23.2 1.8 249 254 A L H X S+ 0 0 2 -4,-0.8 4,-3.1 2,-0.2 -1,-0.2 0.926 110.0 46.7 -64.1 -46.5 14.2 -23.1 2.2 250 255 A N H X S+ 0 0 76 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.919 113.2 48.7 -62.6 -44.3 14.8 -25.8 -0.4 251 256 A A H X S+ 0 0 60 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.925 112.9 50.0 -60.7 -43.0 12.4 -24.1 -2.8 252 257 A Y H X S+ 0 0 5 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.950 111.0 47.0 -59.0 -53.8 14.2 -20.8 -2.1 253 258 A L H <>S+ 0 0 13 -4,-3.1 5,-3.0 1,-0.2 -1,-0.2 0.869 113.0 50.7 -57.8 -39.4 17.7 -22.3 -2.7 254 259 A N H ><5S+ 0 0 94 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.909 105.0 55.7 -67.0 -43.2 16.5 -24.0 -5.9 255 260 A K H 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 118.8 33.0 -56.9 -41.5 15.0 -20.7 -7.3 256 261 A Y T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.209 109.4-120.8-102.1 16.1 18.3 -18.9 -7.0 257 262 A R T < 5 + 0 0 167 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.911 56.1 159.7 42.8 56.3 20.4 -22.0 -7.7 258 263 A I < - 0 0 28 -5,-3.0 2,-0.5 -6,-0.1 -1,-0.2 -0.895 28.1-158.2-109.5 136.1 22.2 -21.7 -4.4 259 264 A E - 0 0 161 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.964 15.8-134.6-116.4 127.0 24.0 -24.7 -2.8 260 265 A L - 0 0 15 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.437 33.1 -92.8 -78.0 152.5 24.6 -24.7 1.0 261 266 A D > - 0 0 76 1,-0.1 4,-2.7 -2,-0.1 3,-0.5 -0.428 40.1-117.2 -62.2 137.9 27.9 -25.6 2.4 262 267 A P H > S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.861 115.1 49.9 -43.1 -48.8 27.8 -29.4 3.2 263 268 A Q H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.905 112.2 48.0 -60.3 -43.4 28.2 -28.7 7.0 264 269 A L H > S+ 0 0 6 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.934 108.9 51.8 -64.1 -48.5 25.5 -26.2 7.0 265 270 A E H X S+ 0 0 128 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.884 109.8 52.0 -56.0 -38.3 23.0 -28.4 5.0 266 271 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.899 110.9 46.6 -65.6 -40.7 23.7 -31.1 7.6 267 272 A L H < S+ 0 0 99 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.912 109.4 53.1 -68.2 -44.5 23.0 -28.7 10.5 268 273 A V H < S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 83.6 164.2 -59.2 -41.3 19.8 -27.4 9.0 269 274 A G < - 0 0 44 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.276 48.9 -43.8 61.3-140.6 18.4 -30.9 8.5 270 275 A R + 0 0 152 -25,-0.0 2,-0.3 -28,-0.0 -1,-0.1 -0.996 62.3 165.7-132.7 127.6 14.7 -31.3 7.8 271 276 A H - 0 0 47 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.5 -0.994 29.0-127.6-142.8 147.9 11.9 -29.4 9.6 272 277 A S - 0 0 59 -2,-0.3 -27,-0.4 -27,-0.2 2,-0.3 -0.489 40.5 -93.1 -88.9 163.5 8.2 -28.8 9.1 273 278 A R - 0 0 146 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.608 35.1-144.5 -79.1 134.5 6.7 -25.3 9.2 274 279 A K - 0 0 64 -31,-3.1 5,-0.1 -2,-0.3 -1,-0.0 -0.889 20.9-117.9-104.8 115.0 5.4 -24.2 12.6 275 280 A P > - 0 0 66 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.080 21.4-120.5 -46.9 145.6 2.3 -22.0 12.5 276 281 A W G > S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 4,-0.0 0.780 110.1 65.9 -60.6 -29.0 2.7 -18.6 14.0 277 282 A L G > S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.663 80.9 77.2 -69.0 -16.6 0.1 -19.3 16.6 278 283 A K G < S+ 0 0 155 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.696 92.0 56.7 -66.0 -16.1 2.3 -21.9 18.2 279 284 A F G < S+ 0 0 58 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.371 83.4 110.4 -95.8 2.4 4.1 -19.0 19.6 280 285 A M < + 0 0 86 -3,-1.8 2,-0.3 4,-0.1 -58,-0.1 -0.525 38.4 156.0 -80.7 147.3 1.1 -17.4 21.4 281 286 A N >> - 0 0 69 -2,-0.2 4,-2.9 0, 0.0 3,-2.0 -0.979 59.0 -85.3-162.8 162.9 0.8 -17.4 25.2 282 287 A A T 34 S+ 0 0 90 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.636 124.3 58.5 -48.5 -17.2 -0.8 -15.6 28.1 283 288 A D T 34 S+ 0 0 112 1,-0.1 -1,-0.3 -61,-0.1 3,-0.1 0.828 122.9 18.6 -84.1 -33.5 2.1 -13.2 28.0 284 289 A N T X> S+ 0 0 0 -3,-2.0 3,-2.4 -62,-0.1 4,-0.8 0.491 90.3 106.4-115.5 -6.7 1.6 -12.1 24.4 285 290 A Q G >< S+ 0 0 130 -4,-2.9 3,-0.6 1,-0.3 -3,-0.1 0.789 75.2 62.8 -43.4 -37.9 -2.0 -13.1 23.7 286 291 A H G 34 S+ 0 0 102 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.2 0.279 111.4 39.5 -75.5 15.2 -3.2 -9.5 23.9 287 292 A L G <4 S+ 0 0 3 -3,-2.4 2,-0.8 -66,-0.2 -1,-0.2 0.473 87.7 88.2-137.3 -11.8 -1.0 -8.8 20.9 288 293 A V << + 0 0 11 -4,-0.8 -3,-0.1 -3,-0.6 -2,-0.1 -0.233 55.0 161.9 -90.7 48.6 -1.3 -11.7 18.5 289 294 A S > - 0 0 30 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.227 53.4-110.4 -63.4 155.2 -4.3 -10.5 16.5 290 295 A P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.806 120.6 54.2 -57.7 -30.0 -4.9 -12.2 13.1 291 296 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 27,-0.2 0.917 107.6 49.7 -70.1 -42.4 -4.0 -8.9 11.4 292 297 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 113.5 46.4 -59.6 -46.7 -0.6 -8.9 13.2 293 298 A I H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.894 111.5 50.9 -64.0 -42.0 -0.0 -12.5 12.2 294 299 A D H X S+ 0 0 56 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.937 112.7 46.3 -62.0 -46.1 -1.0 -11.9 8.6 295 300 A F H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 3,-0.5 0.943 113.2 48.7 -61.0 -49.3 1.4 -8.9 8.4 296 301 A L H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.9 0.927 107.8 55.1 -56.3 -48.4 4.2 -10.8 10.0 297 302 A D H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 105.3 52.8 -56.0 -33.3 3.7 -13.8 7.7 298 303 A K T 3< S+ 0 0 73 -4,-1.4 10,-1.7 -3,-0.5 -1,-0.3 0.536 112.9 45.7 -81.4 -6.5 4.1 -11.5 4.7 299 304 A L T <4 S+ 0 0 0 -3,-1.9 2,-1.8 -4,-0.5 -2,-0.2 0.843 101.4 63.1 -99.0 -48.6 7.4 -10.2 6.1 300 305 A L < + 0 0 2 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.529 69.6 137.1 -83.8 76.6 9.2 -13.3 7.1 301 306 A R - 0 0 65 -2,-1.8 6,-0.2 1,-0.2 5,-0.1 -0.968 54.5-138.1-120.9 135.4 9.5 -15.1 3.8 302 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.981 93.1 73.2 -53.6 -57.9 12.7 -16.9 2.7 303 308 A D S >> S- 0 0 7 1,-0.2 3,-1.9 -3,-0.1 4,-0.8 -0.435 73.2-157.4 -63.4 107.8 12.4 -15.5 -0.8 304 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.824 91.9 61.8 -56.1 -31.6 13.3 -11.8 -0.4 305 310 A Q G 34 S+ 0 0 48 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.731 99.8 55.9 -68.4 -19.7 11.3 -11.1 -3.6 306 311 A E G <4 S+ 0 0 100 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.716 85.7 103.8 -83.0 -25.1 8.2 -12.3 -1.9 307 312 A R S << S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.6 -9,-0.1 -0.172 81.8 -98.6 -61.7 151.6 8.3 -10.0 1.1 308 313 A L - 0 0 26 -10,-1.7 2,-0.2 -13,-0.2 -1,-0.1 -0.388 36.7-125.2 -65.8 146.6 6.1 -6.9 1.4 309 314 A T > - 0 0 24 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.485 28.3-106.1 -84.8 165.8 7.8 -3.7 0.3 310 315 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -170,-0.1 0.901 122.4 52.7 -60.8 -41.0 7.8 -0.9 2.9 311 316 A L H > S+ 0 0 92 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.943 111.9 44.8 -60.1 -48.5 5.2 1.0 0.9 312 317 A E H >> S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.936 109.1 57.0 -60.5 -47.4 2.9 -2.1 0.8 313 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.897 101.6 56.8 -50.8 -45.0 3.5 -2.8 4.5 314 319 A M H 3< S+ 0 0 23 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.792 106.3 49.4 -59.5 -30.7 2.2 0.6 5.5 315 320 A T H << S+ 0 0 87 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.481 80.5 122.7 -89.3 -3.9 -1.1 0.0 3.8 316 321 A H S X< S- 0 0 11 -3,-1.4 3,-2.7 -4,-0.6 4,-0.2 -0.337 75.8-117.5 -59.7 139.2 -1.7 -3.3 5.4 317 322 A P G > S+ 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.699 109.5 77.2 -50.1 -22.9 -5.1 -3.4 7.4 318 323 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.809 99.8 42.0 -59.1 -29.0 -3.0 -4.0 10.5 319 324 A F G <> S+ 0 0 0 -3,-2.7 4,-2.5 -6,-0.2 -1,-0.3 0.353 79.3 113.1-100.3 4.8 -2.2 -0.2 10.4 320 325 A Q H <> S+ 0 0 109 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.808 79.1 47.0 -48.5 -38.8 -5.6 1.1 9.5 321 326 A Q H > S+ 0 0 105 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.925 110.4 51.7 -71.5 -44.0 -6.1 2.8 12.8 322 327 A V H > S+ 0 0 4 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.934 113.6 45.6 -55.9 -46.9 -2.7 4.5 12.8 323 328 A R H X S+ 0 0 55 -4,-2.5 4,-3.4 1,-0.2 3,-0.2 0.941 110.3 52.5 -62.9 -48.5 -3.4 5.8 9.3 324 329 A A H < S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.0 49.7 -55.7 -38.5 -6.9 7.0 10.1 325 330 A A H >< S+ 0 0 57 -4,-2.4 3,-0.6 1,-0.2 -1,-0.3 0.850 113.9 46.0 -69.4 -34.0 -5.5 8.9 13.1 326 331 A E H 3< S+ 0 0 90 -4,-1.7 2,-1.2 1,-0.2 -2,-0.2 0.916 103.3 60.8 -74.9 -45.3 -2.8 10.4 10.8 327 332 A N T 3< 0 0 125 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.015 360.0 360.0 -74.2 36.0 -5.2 11.3 8.0 328 333 A S < 0 0 135 -2,-1.2 -1,-0.2 -3,-0.6 -2,-0.0 -0.229 360.0 360.0-155.8 360.0 -7.0 13.6 10.5