==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 18-OCT-95 1CFD . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR H.KUBONIWA,N.TJANDRA,S.GRZESIEK,H.REN,C.B.KLEE,A.BAX . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 0 0 1 0 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A A 0 0 51 0, 0.0 80,-0.2 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 160.7 13.5 13.5 -10.5 2 2 A D + 0 0 73 78,-0.1 3,-0.1 79,-0.1 74,-0.1 0.172 360.0 136.9-107.5 16.9 10.9 12.1 -8.1 3 3 A Q - 0 0 152 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.271 66.4 -99.6 -62.2 149.1 11.0 8.6 -9.6 4 4 A L - 0 0 40 4,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.556 39.0-128.0 -72.6 125.4 11.0 5.7 -7.2 5 5 A T > - 0 0 71 -2,-0.4 4,-2.4 1,-0.1 5,-0.3 -0.337 24.5-107.8 -70.0 156.3 14.6 4.4 -6.8 6 6 A E H > S+ 0 0 173 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.857 122.2 51.6 -54.5 -30.9 15.2 0.7 -7.3 7 7 A E H > S+ 0 0 148 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.986 106.2 49.3 -71.3 -57.6 15.7 0.5 -3.5 8 8 A Q H > S+ 0 0 61 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.883 112.7 51.3 -50.2 -35.2 12.5 2.3 -2.5 9 9 A I H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.923 112.3 45.0 -70.1 -39.6 10.7 -0.1 -4.8 10 10 A A H X S+ 0 0 43 -4,-1.8 4,-2.9 -3,-0.3 5,-0.3 0.968 110.8 53.5 -68.0 -48.7 12.4 -3.1 -3.2 11 11 A E H X S+ 0 0 116 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.948 114.5 41.7 -50.0 -51.2 11.6 -1.7 0.3 12 12 A F H X S+ 0 0 10 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.917 111.1 56.5 -64.4 -41.3 8.0 -1.4 -0.5 13 13 A K H X S+ 0 0 111 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.900 110.9 44.5 -59.8 -36.7 8.0 -4.7 -2.4 14 14 A E H X S+ 0 0 130 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.954 114.1 47.3 -73.0 -47.5 9.3 -6.4 0.9 15 15 A A H < S+ 0 0 6 -4,-2.6 4,-0.3 -5,-0.3 -2,-0.2 0.838 115.8 48.8 -62.5 -28.1 6.8 -4.6 3.1 16 16 A F H >< S+ 0 0 5 -4,-2.5 3,-2.1 -5,-0.3 -2,-0.2 0.958 108.6 49.1 -76.4 -51.9 4.1 -5.5 0.6 17 17 A S H >< S+ 0 0 63 -4,-2.6 3,-3.2 1,-0.3 -2,-0.2 0.845 91.6 82.0 -57.2 -30.3 5.0 -9.2 0.3 18 18 A L T 3< S+ 0 0 109 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.804 104.6 31.7 -46.3 -27.7 5.0 -9.3 4.1 19 19 A F T < S+ 0 0 38 -3,-2.1 2,-1.0 -4,-0.3 9,-0.3 0.032 87.2 109.9-121.0 28.6 1.2 -9.7 3.8 20 20 A D X + 0 0 31 -3,-3.2 3,-1.4 1,-0.2 5,-0.2 -0.500 29.1 151.2 -99.8 63.8 1.0 -11.6 0.5 21 21 A K T 3 + 0 0 175 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.514 65.3 66.5 -73.7 -1.4 -0.2 -14.9 2.0 22 22 A D T 3 S- 0 0 109 4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.362 96.8-135.6 -99.7 5.5 -1.9 -15.7 -1.2 23 23 A G S < S+ 0 0 71 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.0 0.767 80.7 111.3 47.9 18.6 1.3 -16.0 -3.2 24 24 A D S S- 0 0 119 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.461 93.4-112.3 -99.9 -2.0 -0.7 -14.0 -5.7 25 25 A G S S+ 0 0 37 1,-0.3 40,-1.3 -5,-0.2 2,-0.3 0.786 84.7 97.1 78.7 25.0 1.4 -10.9 -5.2 26 26 A T E -A 64 0A 30 38,-0.2 -4,-0.4 -9,-0.1 -1,-0.3 -0.861 54.7-151.7-138.2 174.3 -1.4 -8.9 -3.6 27 27 A I E -A 63 0A 1 36,-2.7 36,-3.0 -2,-0.3 2,-0.2 -0.920 24.0-106.1-140.9 167.2 -2.8 -8.0 -0.1 28 28 A T E >> -A 62 0A 41 -9,-0.3 3,-0.8 -2,-0.3 4,-0.5 -0.521 28.7-115.3 -93.0 166.3 -6.2 -7.2 1.4 29 29 A T H >> S+ 0 0 35 32,-1.6 3,-0.7 1,-0.2 4,-0.7 0.819 114.1 66.1 -69.3 -27.5 -7.4 -3.8 2.4 30 30 A K H 34 S+ 0 0 192 31,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.809 107.0 40.6 -65.1 -25.8 -7.4 -5.0 6.0 31 31 A E H <> S+ 0 0 48 -3,-0.8 4,-3.2 2,-0.1 -1,-0.2 0.493 89.8 93.4 -99.8 -3.5 -3.6 -5.3 5.9 32 32 A L H S+ 0 0 62 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.952 110.7 46.0 -57.7 -45.3 -0.3 -2.8 8.4 35 35 A V H X S+ 0 0 0 -4,-3.2 4,-1.1 2,-0.2 3,-0.4 0.993 117.3 42.8 -60.0 -57.6 1.8 -2.6 5.2 36 36 A M H ><>S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.3 3,-1.1 0.935 115.5 49.9 -54.3 -44.8 2.0 1.1 5.4 37 37 A R H ><5S+ 0 0 154 -4,-4.4 3,-1.8 -5,-0.4 -1,-0.3 0.837 99.8 66.6 -64.9 -27.6 2.6 0.9 9.1 38 38 A S H 3<5S+ 0 0 52 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.2 0.846 100.0 50.2 -62.5 -28.5 5.3 -1.6 8.3 39 39 A L T <<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.471 129.3 -99.9 -88.1 1.1 7.2 1.2 6.7 40 40 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.624 82.2 131.6 92.7 13.3 6.7 3.4 9.8 41 41 A Q < - 0 0 71 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.786 36.2-169.7 -99.9 142.0 3.8 5.4 8.4 42 42 A N - 0 0 122 -2,-0.4 -9,-0.0 -3,-0.1 -8,-0.0 -0.546 8.6-179.8-132.3 73.8 0.6 5.9 10.5 43 43 A P - 0 0 11 0, 0.0 -6,-0.0 0, 0.0 -2,-0.0 -0.337 35.5-105.6 -67.4 150.1 -2.2 7.4 8.4 44 44 A T > - 0 0 82 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.159 33.1-102.4 -69.9 174.1 -5.5 7.9 10.3 45 45 A E H > S+ 0 0 164 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.939 123.2 50.1 -66.0 -44.1 -8.4 5.6 9.7 46 46 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 107.2 54.6 -62.0 -40.6 -10.2 8.1 7.5 47 47 A E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 113.0 44.0 -59.0 -39.0 -7.0 8.7 5.5 48 48 A L H X S+ 0 0 31 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.942 113.3 48.7 -71.4 -46.6 -7.0 4.9 4.9 49 49 A Q H X S+ 0 0 123 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.779 108.9 56.7 -65.8 -22.5 -10.7 4.6 4.1 50 50 A D H X S+ 0 0 121 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.952 109.2 42.2 -74.7 -48.0 -10.3 7.5 1.7 51 51 A M H X S+ 0 0 40 -4,-1.6 4,-3.0 -5,-0.2 5,-0.3 0.843 112.6 57.3 -67.2 -29.0 -7.7 5.9 -0.4 52 52 A I H X S+ 0 0 28 -4,-1.9 4,-3.9 1,-0.2 -1,-0.2 0.933 98.8 57.6 -67.7 -43.4 -9.6 2.6 -0.2 53 53 A N H < S+ 0 0 129 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 114.9 39.1 -56.0 -34.3 -12.7 4.2 -1.7 54 54 A E H >< S+ 0 0 130 -4,-1.2 3,-0.6 1,-0.1 -2,-0.2 0.939 121.0 41.7 -80.6 -49.8 -10.6 5.1 -4.7 55 55 A V H >< S+ 0 0 33 -4,-3.0 2,-0.9 1,-0.3 3,-0.9 0.832 103.2 69.8 -66.9 -29.1 -8.6 1.8 -4.9 56 56 A D T 3< + 0 0 61 -4,-3.9 -1,-0.3 -5,-0.3 -4,-0.1 -0.040 65.1 114.9 -79.6 38.0 -11.7 -0.1 -4.1 57 57 A A T < + 0 0 88 -2,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.748 69.2 57.0 -80.3 -23.1 -12.9 0.9 -7.6 58 58 A D S < S- 0 0 121 -3,-0.9 -1,-0.2 4,-0.1 -2,-0.1 0.713 106.4-129.0 -79.9 -19.1 -12.8 -2.8 -8.7 59 59 A G S S+ 0 0 58 -4,-0.1 -3,-0.1 3,-0.1 -2,-0.1 0.689 83.8 102.1 79.9 16.1 -15.2 -3.6 -5.9 60 60 A N S S- 0 0 100 2,-0.1 -4,-0.1 0, 0.0 3,-0.1 0.819 78.6-133.8 -99.8 -38.9 -13.0 -6.5 -4.7 61 61 A G + 0 0 18 1,-0.3 -32,-1.6 -6,-0.2 2,-0.3 0.847 63.7 112.9 88.9 36.6 -11.3 -4.9 -1.7 62 62 A T E -A 28 0A 70 -34,-0.2 2,-0.4 -7,-0.2 -1,-0.3 -0.926 52.3-144.7-135.9 162.1 -7.7 -6.0 -2.5 63 63 A I E -A 27 0A 0 -36,-3.0 -36,-2.7 -2,-0.3 2,-0.2 -0.990 8.6-155.6-131.3 132.4 -4.4 -4.1 -3.4 64 64 A D E > -A 26 0A 41 -2,-0.4 4,-2.3 -38,-0.2 -38,-0.2 -0.602 33.1-107.2-100.0 163.8 -1.7 -5.4 -5.8 65 65 A F H > S+ 0 0 16 -40,-1.3 4,-2.7 2,-0.2 5,-0.3 0.951 116.9 55.0 -57.2 -49.9 1.9 -4.3 -5.7 66 66 A P H > S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.947 113.8 40.4 -49.3 -55.3 1.7 -2.1 -8.9 67 67 A E H > S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.876 110.9 59.6 -64.3 -31.9 -1.3 -0.2 -7.5 68 68 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.5 0.912 102.7 52.3 -63.2 -36.5 0.5 -0.1 -4.1 69 69 A L H X S+ 0 0 32 -4,-2.7 4,-2.3 -3,-0.3 -1,-0.2 0.829 101.8 60.5 -68.1 -27.7 3.4 1.7 -5.8 70 70 A T H X S+ 0 0 90 -4,-1.2 4,-0.9 -5,-0.3 -1,-0.2 0.834 105.6 48.4 -69.8 -26.6 0.8 4.2 -7.1 71 71 A M H X S+ 0 0 15 -4,-1.2 4,-1.2 -3,-0.5 3,-0.3 0.945 110.4 49.1 -77.0 -47.9 -0.0 5.1 -3.5 72 72 A M H >X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.909 110.3 51.6 -58.5 -40.9 3.6 5.4 -2.4 73 73 A A H 3< S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 106.6 54.5 -67.7 -28.3 4.3 7.7 -5.4 74 74 A R H 3< S+ 0 0 150 -4,-0.9 4,-0.4 -3,-0.3 3,-0.3 0.739 114.2 41.2 -76.4 -19.8 1.3 9.9 -4.4 75 75 A K H << S+ 0 0 73 -4,-1.2 4,-0.5 -3,-0.6 -2,-0.2 0.834 105.1 60.9 -94.1 -39.5 2.8 10.3 -0.9 76 76 A M S < S+ 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 5,-0.1 0.183 92.3 82.4 -75.3 25.0 6.4 10.8 -1.8 77 77 A K S > S+ 0 0 113 -3,-0.3 3,-1.4 -5,-0.1 -2,-0.1 0.846 88.0 36.9 -90.5 -87.5 5.3 13.9 -3.7 78 78 A D T 3 S+ 0 0 130 -4,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.685 121.1 55.3 -41.7 -14.5 4.9 17.0 -1.5 79 79 A T T 3 S+ 0 0 83 -4,-0.5 -1,-0.3 3,-0.0 -2,-0.1 -0.253 80.7 163.1-115.4 45.5 7.9 15.5 0.3 80 80 A D < - 0 0 19 -3,-1.4 4,-0.3 1,-0.1 -3,-0.1 -0.061 51.8-117.5 -56.6 166.9 10.2 15.3 -2.7 81 81 A S S >> S+ 0 0 58 1,-0.2 4,-2.0 -80,-0.2 3,-0.7 0.730 112.5 71.4 -79.7 -19.7 14.0 14.9 -2.0 82 82 A E H 3> S+ 0 0 55 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.929 90.6 55.7 -60.7 -45.3 14.3 18.3 -3.7 83 83 A E H 3> S+ 0 0 80 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.750 107.8 52.7 -61.8 -19.8 12.7 20.1 -0.7 84 84 A E H <> S+ 0 0 126 -3,-0.7 4,-1.0 -4,-0.3 -1,-0.2 0.901 113.0 39.6 -83.8 -42.7 15.4 18.4 1.4 85 85 A I H X S+ 0 0 4 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.935 117.9 48.3 -73.0 -43.9 18.4 19.6 -0.7 86 86 A R H X S+ 0 0 98 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.927 110.9 51.5 -63.0 -39.9 16.9 23.1 -1.3 87 87 A E H X S+ 0 0 114 -4,-0.9 4,-1.7 -5,-0.4 -1,-0.2 0.813 111.1 49.5 -68.0 -23.0 16.1 23.4 2.4 88 88 A A H X S+ 0 0 12 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.941 110.7 46.8 -79.2 -46.3 19.8 22.4 3.0 89 89 A F H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 3,-0.5 0.861 109.0 58.4 -62.3 -27.0 21.1 25.0 0.6 90 90 A R H >< S+ 0 0 163 -4,-2.2 3,-1.3 -5,-0.3 -1,-0.2 0.959 99.3 55.4 -65.6 -45.3 18.6 27.3 2.4 91 91 A V H 3< S+ 0 0 100 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.748 111.6 47.3 -55.9 -21.3 20.5 26.6 5.6 92 92 A F H 3< S+ 0 0 33 -4,-0.9 2,-1.5 -3,-0.5 -1,-0.3 0.604 90.5 80.3 -99.7 -11.2 23.5 27.8 3.6 93 93 A D X< + 0 0 16 -3,-1.3 3,-2.3 -4,-1.0 -1,-0.2 -0.425 51.2 157.7 -91.2 61.5 21.9 30.9 2.2 94 94 A K T 3 S+ 0 0 185 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.724 73.7 53.2 -59.7 -19.5 22.4 32.9 5.4 95 95 A D T 3 S- 0 0 132 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.321 103.4-131.2 -99.5 9.4 22.2 36.1 3.4 96 96 A G S < S+ 0 0 61 -3,-2.3 -2,-0.1 -6,-0.2 -3,-0.1 0.855 74.8 121.2 46.1 32.8 18.8 35.1 1.8 97 97 A N S S- 0 0 94 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.685 78.5-122.1 -99.4 -20.0 20.5 36.1 -1.5 98 98 A G S S+ 0 0 17 1,-0.2 40,-0.5 -9,-0.1 2,-0.4 0.532 83.1 90.1 91.9 4.0 20.1 32.7 -3.3 99 99 A Y + 0 0 116 38,-0.2 2,-0.3 39,-0.1 -2,-0.2 -0.993 46.5 172.3-136.2 143.1 23.9 32.4 -3.8 100 100 A I E -B 136 0B 4 36,-1.5 36,-2.0 -2,-0.4 2,-0.2 -0.925 43.4 -86.2-140.2 165.2 26.7 30.9 -1.8 101 101 A S E >> -B 135 0B 40 -2,-0.3 4,-2.2 34,-0.2 3,-0.8 -0.527 42.1-113.5 -74.9 139.8 30.4 30.2 -2.4 102 102 A A H 3> S+ 0 0 18 32,-0.9 4,-4.0 1,-0.3 5,-0.4 0.850 118.7 62.2 -40.5 -36.8 31.1 26.9 -4.1 103 103 A A H 3> S+ 0 0 68 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.981 105.5 42.8 -56.7 -54.4 32.8 25.8 -0.8 104 104 A E H <> S+ 0 0 71 -3,-0.8 4,-3.0 1,-0.2 -1,-0.2 0.885 115.1 52.6 -59.7 -33.9 29.5 26.2 1.1 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.961 111.4 43.9 -67.5 -47.7 27.8 24.5 -1.9 106 106 A R H X S+ 0 0 86 -4,-4.0 4,-1.5 -5,-0.2 -2,-0.2 0.891 115.6 50.5 -64.0 -34.4 30.2 21.6 -1.7 107 107 A H H X S+ 0 0 102 -4,-3.1 4,-3.3 -5,-0.4 5,-0.4 0.918 105.4 55.1 -70.0 -40.6 29.8 21.6 2.0 108 108 A V H X S+ 0 0 1 -4,-3.0 4,-1.0 -5,-0.2 -1,-0.2 0.902 110.4 47.0 -58.8 -39.0 26.0 21.6 1.7 109 109 A M H <>S+ 0 0 4 -4,-1.9 5,-0.8 -5,-0.2 4,-0.3 0.831 118.1 40.7 -74.3 -30.6 26.3 18.4 -0.4 110 110 A T H ><5S+ 0 0 82 -4,-1.5 3,-1.3 -5,-0.2 -2,-0.2 0.892 111.4 53.1 -85.3 -42.2 28.7 16.7 2.1 111 111 A N H 3<5S+ 0 0 116 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.829 96.7 70.0 -63.2 -27.8 27.0 17.8 5.4 112 112 A L T 3<5S- 0 0 68 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.819 110.3-122.2 -60.1 -26.6 23.8 16.4 4.1 113 113 A G T < 5 + 0 0 63 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.1 0.768 52.9 162.0 89.5 28.2 25.3 12.9 4.4 114 114 A E < - 0 0 73 -5,-0.8 2,-0.9 -4,-0.1 -1,-0.2 -0.545 49.1-123.5 -79.9 145.6 24.8 12.0 0.8 115 115 A K + 0 0 204 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.013 64.6 140.8 -79.8 38.5 26.9 9.1 -0.6 116 116 A L - 0 0 44 -2,-0.9 2,-0.3 -7,-0.2 -3,-0.1 -0.638 47.7-136.1 -82.5 134.8 28.3 11.4 -3.2 117 117 A T > - 0 0 60 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.643 21.1-116.5 -90.1 148.1 32.0 11.0 -4.0 118 118 A D H > S+ 0 0 95 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.827 117.7 57.3 -52.0 -27.9 34.2 14.1 -4.4 119 119 A E H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 101.1 52.6 -70.7 -47.4 34.7 12.9 -8.0 120 120 A E H > S+ 0 0 80 -3,-0.3 4,-2.0 1,-0.2 3,-0.2 0.920 111.6 47.9 -55.4 -41.0 31.0 12.9 -8.8 121 121 A V H X S+ 0 0 10 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.886 103.1 61.9 -68.5 -35.6 30.8 16.5 -7.6 122 122 A D H X S+ 0 0 65 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.889 107.9 44.2 -58.8 -35.0 33.9 17.4 -9.6 123 123 A E H >X S+ 0 0 115 -4,-1.7 4,-1.1 -3,-0.2 3,-0.6 0.925 109.3 54.6 -75.5 -42.9 31.9 16.5 -12.8 124 124 A M H 3X S+ 0 0 7 -4,-2.0 4,-0.7 1,-0.3 -2,-0.2 0.826 108.0 52.8 -59.7 -26.5 28.8 18.3 -11.5 125 125 A I H 3<>S+ 0 0 35 -4,-2.0 5,-0.7 -5,-0.2 -1,-0.3 0.801 94.9 69.9 -79.2 -29.0 31.1 21.4 -11.2 126 126 A R H <<5S+ 0 0 200 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.958 108.8 32.8 -55.3 -53.3 32.4 21.1 -14.8 127 127 A E H <5S+ 0 0 158 -4,-1.1 2,-1.7 1,-0.2 -1,-0.2 0.738 106.9 76.0 -79.4 -16.8 29.0 22.2 -16.4 128 128 A A T <5S- 0 0 6 -4,-0.7 2,-1.0 -5,-0.3 -1,-0.2 -0.573 88.6-141.5 -90.7 74.8 28.3 24.5 -13.4 129 129 A D T 5 + 0 0 132 -2,-1.7 -3,-0.1 1,-0.2 4,-0.1 -0.016 32.6 171.9 -38.9 79.4 30.7 27.2 -14.4 130 130 A I < + 0 0 27 -2,-1.0 -1,-0.2 -5,-0.7 -28,-0.2 0.449 61.1 51.0 -79.6 2.6 31.6 27.7 -10.8 131 131 A D S S+ 0 0 132 2,-0.1 2,-0.7 1,-0.1 3,-0.5 -0.186 70.8 76.3-115.6-151.8 34.4 30.0 -11.8 132 132 A G S S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.236 123.3 18.7 65.5 -25.3 34.3 33.0 -14.0 133 133 A D S S- 0 0 146 -2,-0.7 -1,-0.3 -4,-0.1 -2,-0.1 0.394 92.7-123.7-135.2 -79.8 32.7 34.6 -11.0 134 134 A G S S+ 0 0 38 -3,-0.5 -32,-0.9 1,-0.5 2,-0.3 0.060 81.8 64.0 149.6 -29.4 33.1 33.0 -7.5 135 135 A Q E -B 101 0B 118 -34,-0.2 -1,-0.5 -4,-0.1 2,-0.3 -0.915 57.7-173.1-121.9 148.3 29.5 32.4 -6.3 136 136 A V E -B 100 0B 23 -36,-2.0 -36,-1.5 -2,-0.3 -6,-0.1 -0.994 24.0-118.5-140.5 148.7 26.8 30.1 -7.7 137 137 A N - 0 0 30 -2,-0.3 4,-0.4 -38,-0.2 -38,-0.2 -0.342 17.9-140.5 -78.6 165.5 23.2 29.5 -7.0 138 138 A Y S > S+ 0 0 25 -40,-0.5 4,-3.4 2,-0.1 5,-0.3 0.765 82.7 86.7-100.9 -29.7 22.1 25.9 -5.9 139 139 A E H > S+ 0 0 107 1,-0.3 4,-1.6 -41,-0.2 5,-0.2 0.870 98.9 44.5 -39.8 -39.7 18.8 25.4 -7.8 140 140 A E H > S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.943 115.4 45.5 -72.8 -44.6 20.9 24.2 -10.7 141 141 A F H > S+ 0 0 0 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.767 108.3 60.8 -69.9 -21.1 23.2 22.0 -8.5 142 142 A V H X S+ 0 0 4 -4,-3.4 4,-1.4 2,-0.2 3,-0.4 0.966 103.7 46.4 -70.6 -50.0 20.0 20.7 -6.7 143 143 A Q H X S+ 0 0 120 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.817 109.6 57.9 -62.0 -27.0 18.5 19.2 -9.9 144 144 A M H < S+ 0 0 32 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.892 104.4 49.0 -72.0 -37.4 21.9 17.7 -10.6 145 145 A M H < S+ 0 0 20 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.789 110.0 54.1 -73.1 -24.5 22.1 15.8 -7.3 146 146 A T H < S- 0 0 33 -4,-1.4 2,-0.2 1,-0.2 -2,-0.2 0.982 131.9 -45.2 -73.1 -57.6 18.6 14.4 -7.8 147 147 A A < 0 0 48 -4,-1.7 -1,-0.2 -145,-0.0 -2,-0.1 -0.654 360.0 360.0-179.1 116.3 19.1 12.9 -11.3 148 148 A K 0 0 179 -4,-0.3 -4,-0.1 -2,-0.2 -3,-0.0 -0.197 360.0 360.0 -44.4 360.0 20.9 14.2 -14.3