==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/SIGNALING PROTEIN 06-MAY-05 1ZLL . COMPND 2 MOLECULE: CARDIAC PHOSPHOLAMBAN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.OXENOID,J.J.CHOU . 255 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 90.6 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 . 0 0.0 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 180 0, 0.0 2,-2.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.3 70.8 -13.3 -8.3 2 2 A E > + 0 0 174 1,-0.2 4,-0.7 4,-0.0 5,-0.1 0.128 360.0 74.4 62.3 -32.9 69.5 -16.5 -6.7 3 3 A K H > S+ 0 0 163 -2,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.876 100.1 38.2 -77.2 -36.3 67.5 -14.1 -4.6 4 4 A V H >>>S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 3,-0.6 0.963 112.9 53.1 -78.7 -53.7 65.1 -13.3 -7.4 5 5 A Q H 3>5S+ 0 0 145 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.823 111.8 51.5 -51.4 -26.5 64.8 -16.8 -8.9 6 6 A Y H 3X5S+ 0 0 139 -4,-0.7 4,-1.1 2,-0.2 -1,-0.3 0.879 114.1 40.0 -79.0 -37.7 63.9 -17.8 -5.3 7 7 A L H X S+ 0 0 53 -4,-1.6 4,-2.5 2,-0.2 3,-0.8 0.979 110.5 50.0 -77.5 -63.4 55.2 -17.2 -6.2 12 12 A I H 3< S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 114.0 52.4 -46.1 -24.2 54.6 -19.3 -9.4 13 13 A R H 3< S+ 0 0 165 -4,-1.0 3,-0.4 -5,-0.3 -1,-0.3 0.881 117.3 33.3 -81.6 -39.6 54.7 -22.2 -6.9 14 14 A R H << S+ 0 0 180 -4,-1.4 3,-0.2 -3,-0.8 -2,-0.2 0.485 118.1 55.9 -93.2 -2.1 52.1 -20.9 -4.5 15 15 A A S >< S+ 0 0 44 -4,-2.5 3,-1.1 1,-0.1 -1,-0.2 0.325 71.9 99.7-109.1 7.8 50.1 -19.2 -7.3 16 16 A S T 3 S+ 0 0 88 -3,-0.4 -1,-0.1 -5,-0.3 -2,-0.1 0.526 75.9 67.6 -72.2 1.8 49.6 -22.4 -9.4 17 17 A T T 3 S+ 0 0 119 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.052 93.8 70.6-108.3 31.2 46.1 -22.4 -7.7 18 18 A I < - 0 0 69 -3,-1.1 2,-0.1 2,-0.1 -3,-0.0 -0.934 57.2-159.9-140.2 163.8 44.9 -19.2 -9.5 19 19 A E + 0 0 189 -2,-0.3 -3,-0.1 3,-0.0 -4,-0.0 -0.574 46.1 112.1-148.2 82.0 44.0 -18.2 -13.1 20 20 A M S S- 0 0 89 -2,-0.1 2,-1.3 4,-0.0 3,-0.1 -0.991 72.8-112.8-149.8 147.9 44.1 -14.5 -13.7 21 21 A P - 0 0 85 0, 0.0 2,-3.2 0, 0.0 -2,-0.0 -0.009 48.8-124.1 -72.2 34.0 46.4 -12.2 -15.9 22 22 A Q S >> S+ 0 0 141 -2,-1.3 3,-1.9 1,-0.3 4,-1.3 -0.210 105.7 73.2 57.3 -76.6 47.7 -10.7 -12.6 23 23 A Q H 3> S+ 0 0 97 -2,-3.2 4,-2.3 1,-0.3 5,-0.3 0.801 94.1 53.3 -35.0 -39.4 46.8 -7.2 -13.8 24 24 A A H 3> S+ 0 0 21 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.913 103.5 57.2 -71.0 -36.2 43.1 -8.1 -13.2 25 25 A R H <> S+ 0 0 131 -3,-1.9 4,-2.0 2,-0.2 5,-0.2 0.981 115.4 34.9 -56.5 -57.0 43.9 -9.2 -9.6 26 26 A Q H X S+ 0 0 119 -4,-1.3 4,-1.9 1,-0.2 5,-0.4 0.979 120.0 48.2 -63.5 -55.6 45.4 -5.8 -8.7 27 27 A K H X S+ 0 0 108 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.878 112.3 52.1 -54.5 -37.7 43.0 -3.6 -10.8 28 28 A L H X S+ 0 0 100 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.954 106.0 50.2 -68.5 -49.5 40.0 -5.6 -9.4 29 29 A Q H X S+ 0 0 77 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.964 122.9 32.7 -56.2 -49.2 40.8 -5.2 -5.6 30 30 A N H X S+ 0 0 84 -4,-1.9 4,-2.0 -5,-0.2 5,-0.3 0.986 122.8 44.9 -71.8 -58.3 41.3 -1.4 -6.0 31 31 A L H X S+ 0 0 97 -4,-2.2 4,-2.2 -5,-0.4 -3,-0.2 0.884 113.4 55.1 -53.0 -36.7 38.7 -0.7 -8.8 32 32 A F H X S+ 0 0 76 -4,-2.8 4,-3.0 -5,-0.4 5,-0.2 0.996 105.2 48.9 -62.3 -62.6 36.3 -3.0 -6.9 33 33 A I H X S+ 0 0 60 -4,-1.9 4,-2.2 -5,-0.4 3,-0.3 0.934 114.9 45.1 -43.4 -57.2 36.4 -1.1 -3.6 34 34 A N H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.919 112.4 53.0 -56.2 -38.6 35.9 2.3 -5.3 35 35 A F H X S+ 0 0 122 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.3 0.898 105.9 55.0 -63.8 -35.9 33.1 0.6 -7.4 36 36 A C H X S+ 0 0 2 -4,-3.0 4,-3.3 -3,-0.3 5,-0.4 0.966 103.5 53.0 -62.5 -52.0 31.6 -0.5 -4.0 37 37 A L H X S+ 0 0 38 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.950 114.3 42.4 -49.9 -51.0 31.4 3.0 -2.7 38 38 A I H X S+ 0 0 57 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.894 114.0 53.1 -64.9 -36.6 29.5 4.1 -5.8 39 39 A L H X S+ 0 0 66 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.967 108.7 47.7 -63.9 -49.9 27.4 1.0 -5.7 40 40 A I H X S+ 0 0 32 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.868 112.1 53.6 -60.6 -32.6 26.3 1.5 -2.1 41 41 A C H X S+ 0 0 10 -4,-1.7 4,-2.2 -5,-0.4 5,-0.3 1.000 108.0 44.5 -66.7 -66.9 25.5 5.1 -3.0 42 42 A L H X S+ 0 0 113 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.824 114.0 58.2 -46.7 -27.7 23.2 4.5 -6.0 43 43 A L H >X S+ 0 0 23 -4,-1.6 4,-1.9 -5,-0.3 3,-0.7 1.000 103.1 45.8 -68.2 -65.5 21.7 1.8 -3.7 44 44 A L H 3X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.866 111.8 55.9 -45.4 -40.3 20.7 4.1 -0.7 45 45 A I H 3X S+ 0 0 74 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.3 0.947 105.0 51.8 -61.9 -44.9 19.2 6.4 -3.3 46 46 A C H X S+ 0 0 31 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.926 111.9 50.2 -47.2 -49.7 15.6 2.7 -1.3 48 48 A I H >< S+ 0 0 41 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.969 104.7 55.5 -56.0 -54.2 14.8 6.4 -0.7 49 49 A V H 3< S+ 0 0 118 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.806 108.2 52.4 -50.4 -26.7 13.0 6.8 -4.1 50 50 A M H << 0 0 112 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.867 360.0 360.0 -80.8 -35.2 10.8 3.9 -2.9 51 51 A L << 0 0 138 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.849 360.0 360.0 -69.5 360.0 9.9 5.5 0.5 52 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 1 B M 0 0 170 0, 0.0 2,-7.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 30.8 67.1 8.3 -21.7 54 2 B E > + 0 0 165 1,-0.3 4,-0.7 4,-0.0 5,-0.1 0.188 360.0 71.8 50.9 -34.8 65.4 5.8 -24.1 55 3 B K H > S+ 0 0 152 -2,-7.9 4,-1.3 2,-0.2 -1,-0.3 0.880 101.3 38.1 -74.3 -36.6 64.0 4.6 -20.8 56 4 B V H >>>S+ 0 0 69 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.962 112.9 53.2 -79.1 -53.6 61.7 7.7 -20.5 57 5 B Q H 3>5S+ 0 0 121 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.822 111.8 51.5 -51.7 -26.1 60.8 8.0 -24.2 58 6 B Y H 3X5S+ 0 0 150 -4,-0.7 4,-1.1 2,-0.2 -1,-0.3 0.879 114.1 40.0 -79.6 -37.9 59.8 4.4 -23.9 59 7 B L H X S+ 0 0 53 -4,-1.5 4,-2.5 2,-0.2 3,-0.8 0.977 110.4 50.0 -77.8 -62.6 51.2 5.8 -22.0 64 12 B I H 3< S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 114.1 52.5 -47.3 -23.8 50.2 8.1 -24.8 65 13 B R H 3< S+ 0 0 176 -4,-1.0 3,-0.4 -5,-0.3 -1,-0.3 0.877 117.3 33.3 -81.6 -38.9 49.9 4.9 -26.8 66 14 B R H << S+ 0 0 179 -4,-1.3 3,-0.2 -3,-0.8 -2,-0.2 0.486 118.2 55.8 -94.3 -1.8 47.6 3.1 -24.3 67 15 B A S >< S+ 0 0 37 -4,-2.5 3,-1.1 1,-0.1 -1,-0.2 0.321 72.0 99.7-109.4 8.3 45.9 6.4 -23.2 68 16 B S T 3 S+ 0 0 93 -3,-0.4 -1,-0.1 -5,-0.3 -2,-0.1 0.520 75.9 67.6 -72.7 1.7 44.8 7.4 -26.8 69 17 B T T 3 S+ 0 0 122 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.053 93.8 70.4-108.3 31.1 41.4 6.0 -25.6 70 18 B I < - 0 0 81 -3,-1.1 2,-0.1 2,-0.1 -3,-0.0 -0.931 57.3-159.7-140.0 164.7 40.8 8.8 -23.1 71 19 B E + 0 0 174 -2,-0.3 -3,-0.1 3,-0.0 -4,-0.0 -0.549 46.1 112.2-148.9 79.6 40.0 12.5 -23.1 72 20 B M S S- 0 0 85 -2,-0.1 2,-1.3 4,-0.0 3,-0.1 -0.992 72.7-112.9-147.4 149.2 40.8 14.3 -19.8 73 21 B P - 0 0 86 0, 0.0 2,-3.2 0, 0.0 -2,-0.0 -0.009 48.8-124.2 -72.2 34.3 43.4 16.9 -18.8 74 22 B Q S >> S+ 0 0 140 -2,-1.3 3,-1.8 1,-0.3 4,-1.3 -0.206 105.7 73.2 56.7 -76.4 45.1 14.2 -16.6 75 23 B Q H 3> S+ 0 0 114 -2,-3.2 4,-2.3 1,-0.3 5,-0.3 0.803 94.0 53.3 -35.4 -39.4 44.8 16.5 -13.6 76 24 B A H 3> S+ 0 0 20 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.919 103.5 57.2 -70.8 -36.8 41.0 15.8 -13.5 77 25 B R H <> S+ 0 0 123 -3,-1.8 4,-2.1 2,-0.2 5,-0.2 0.978 115.3 34.9 -55.6 -57.2 41.7 12.0 -13.5 78 26 B Q H X S+ 0 0 159 -4,-1.3 4,-1.9 1,-0.2 5,-0.4 0.980 119.9 48.2 -63.5 -55.8 43.8 12.1 -10.3 79 27 B K H X S+ 0 0 118 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.880 112.3 52.1 -53.9 -38.0 41.8 14.9 -8.6 80 28 B L H X S+ 0 0 95 -4,-2.7 4,-2.9 -5,-0.3 5,-0.4 0.959 106.0 50.2 -68.1 -50.5 38.5 13.1 -9.4 81 29 B Q H X S+ 0 0 128 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.964 122.9 32.8 -54.6 -49.8 39.4 9.7 -8.0 82 30 B N H X S+ 0 0 84 -4,-1.9 4,-2.0 -5,-0.2 5,-0.3 0.987 122.8 44.9 -71.3 -58.2 40.6 11.2 -4.6 83 31 B L H X S+ 0 0 89 -4,-2.2 4,-2.2 -5,-0.4 -3,-0.2 0.888 113.3 55.1 -53.2 -36.9 38.2 14.1 -4.5 84 32 B F H X S+ 0 0 97 -4,-2.9 4,-2.9 -5,-0.4 5,-0.2 0.996 105.2 48.8 -61.8 -63.3 35.4 11.7 -5.5 85 33 B I H X S+ 0 0 46 -4,-1.9 4,-2.3 -5,-0.4 3,-0.3 0.930 114.9 45.2 -42.4 -57.9 35.9 9.2 -2.7 86 34 B N H X S+ 0 0 36 -4,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.924 112.4 52.9 -55.8 -39.9 36.0 11.9 -0.0 87 35 B F H X S+ 0 0 130 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.3 0.895 106.0 55.0 -62.2 -35.9 33.0 13.4 -1.8 88 36 B C H X S+ 0 0 4 -4,-2.9 4,-3.3 -3,-0.3 5,-0.4 0.970 103.5 53.0 -63.2 -52.1 31.3 10.0 -1.5 89 37 B L H X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.947 114.4 42.4 -49.3 -50.2 31.8 9.8 2.3 90 38 B I H X S+ 0 0 81 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.896 114.0 53.1 -66.3 -36.0 30.1 13.2 2.7 91 39 B L H X S+ 0 0 70 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.970 108.7 47.7 -64.4 -50.4 27.4 12.3 0.2 92 40 B I H X S+ 0 0 26 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.872 112.0 53.7 -59.5 -33.9 26.5 9.1 2.0 93 41 B C H X S+ 0 0 11 -4,-1.8 4,-2.2 -5,-0.4 5,-0.3 1.000 108.0 44.4 -64.9 -67.5 26.4 11.1 5.3 94 42 B L H X S+ 0 0 122 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.823 114.0 58.3 -46.6 -27.0 23.9 13.8 4.2 95 43 B L H >X S+ 0 0 28 -4,-1.6 4,-1.9 -5,-0.3 3,-0.7 0.998 103.1 45.8 -69.1 -65.7 22.0 10.9 2.7 96 44 B L H 3X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.886 111.8 55.9 -45.2 -40.4 21.5 8.8 5.9 97 45 B I H 3X S+ 0 0 84 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.3 0.944 104.9 51.9 -60.8 -44.5 20.4 12.1 7.5 98 46 B C H X S+ 0 0 21 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.928 111.9 50.2 -48.6 -48.8 16.3 9.2 5.4 100 48 B I H >< S+ 0 0 53 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.968 104.7 55.4 -56.5 -54.1 16.2 9.8 9.2 101 49 B V H 3< S+ 0 0 117 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.805 108.2 52.5 -50.6 -26.5 14.4 13.2 8.8 102 50 B M H << 0 0 146 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.862 360.0 360.0 -80.8 -34.6 11.8 11.3 6.9 103 51 B L << 0 0 86 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.841 360.0 360.0 -70.8 360.0 11.2 8.6 9.6 104 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 105 1 C M 0 0 178 0, 0.0 2,-2.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.2 68.9 24.6 -2.5 106 2 C E > + 0 0 173 1,-0.2 4,-0.7 4,-0.0 5,-0.1 0.119 360.0 74.6 63.3 -33.2 66.9 26.2 -5.3 107 3 C K H > S+ 0 0 162 -2,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.882 100.1 38.1 -76.6 -37.0 65.1 22.9 -5.2 108 4 C V H >>>S+ 0 0 77 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.964 113.0 53.2 -78.0 -54.2 63.2 23.8 -2.0 109 5 C Q H 3>5S+ 0 0 133 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.821 111.8 51.5 -51.0 -26.4 62.6 27.5 -2.7 110 6 C Y H 3X5S+ 0 0 138 -4,-0.7 4,-1.2 2,-0.2 -1,-0.3 0.880 114.1 39.9 -79.3 -38.4 61.1 26.1 -5.9 111 7 C L H X S+ 0 0 56 -4,-1.5 4,-2.5 2,-0.2 3,-0.8 0.976 110.4 50.0 -77.5 -62.4 52.7 25.7 -3.1 116 12 C I H 3< S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.1 52.4 -48.0 -23.8 52.3 29.2 -1.6 117 13 C R H 3< S+ 0 0 160 -4,-1.0 3,-0.4 -5,-0.3 -1,-0.3 0.882 117.3 33.3 -80.9 -39.7 51.6 30.1 -5.2 118 14 C R H << S+ 0 0 199 -4,-1.4 3,-0.2 -3,-0.8 -2,-0.2 0.487 118.2 55.8 -93.4 -2.0 48.9 27.4 -5.8 119 15 C A S >< S+ 0 0 39 -4,-2.5 3,-1.1 1,-0.1 -1,-0.2 0.323 72.0 99.7-109.4 8.5 47.6 27.6 -2.2 120 16 C S T 3 S+ 0 0 87 -3,-0.4 -1,-0.1 -5,-0.3 -2,-0.1 0.514 75.9 67.6 -72.7 2.3 46.9 31.4 -2.2 121 17 C T T 3 S+ 0 0 124 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.053 93.8 70.5-109.3 31.1 43.3 30.2 -2.8 122 18 C I < - 0 0 101 -3,-1.1 2,-0.1 2,-0.1 -3,-0.0 -0.932 57.3-159.8-140.1 164.5 42.9 28.7 0.7 123 19 C E + 0 0 176 -2,-0.3 -3,-0.1 3,-0.0 -4,-0.0 -0.558 46.1 112.2-148.8 79.8 42.6 29.9 4.3 124 20 C M S S- 0 0 78 -2,-0.1 2,-1.3 4,-0.0 3,-0.1 -0.991 72.8-112.8-147.7 149.3 43.5 27.2 6.9 125 21 C P - 0 0 101 0, 0.0 2,-3.1 0, 0.0 -2,-0.0 -0.014 48.8-124.2 -72.9 34.7 46.3 26.7 9.4 126 22 C Q S >> S+ 0 0 147 -2,-1.3 3,-1.8 1,-0.3 4,-1.3 -0.205 105.7 73.2 56.7 -76.6 47.5 23.7 7.3 127 23 C Q H 3> S+ 0 0 122 -2,-3.1 4,-2.3 1,-0.3 5,-0.3 0.804 94.1 53.3 -35.0 -40.0 47.3 21.5 10.4 128 24 C A H 3> S+ 0 0 19 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.916 103.5 57.2 -70.0 -36.9 43.5 21.6 10.2 129 25 C R H <> S+ 0 0 88 -3,-1.8 4,-2.0 2,-0.2 5,-0.2 0.979 115.4 34.8 -55.6 -56.9 43.6 20.5 6.5 130 26 C Q H X S+ 0 0 128 -4,-1.3 4,-1.9 1,-0.2 5,-0.4 0.981 119.9 48.3 -64.1 -55.8 45.5 17.3 7.4 131 27 C K H X S+ 0 0 114 -4,-2.3 4,-2.2 -5,-0.2 5,-0.4 0.878 112.3 52.0 -53.6 -37.8 43.8 16.6 10.8 132 28 C L H X S+ 0 0 83 -4,-2.7 4,-2.8 -5,-0.3 5,-0.4 0.956 106.0 50.2 -68.8 -49.6 40.4 17.2 9.2 133 29 C Q H X S+ 0 0 64 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.965 122.9 32.7 -55.7 -49.5 40.7 14.7 6.3 134 30 C N H X S+ 0 0 93 -4,-1.9 4,-2.0 -5,-0.2 5,-0.3 0.986 122.7 45.0 -71.4 -57.4 41.8 11.9 8.6 135 31 C L H X S+ 0 0 100 -4,-2.2 4,-2.3 -5,-0.4 -3,-0.2 0.888 113.4 55.1 -54.2 -36.6 39.9 12.9 11.7 136 32 C F H X S+ 0 0 72 -4,-2.8 4,-2.9 -5,-0.4 5,-0.2 0.997 105.1 48.7 -61.8 -63.3 36.8 13.4 9.5 137 33 C I H X S+ 0 0 59 -4,-1.9 4,-2.2 -5,-0.4 3,-0.3 0.929 114.9 45.2 -42.3 -58.2 36.8 9.9 7.9 138 34 C N H X S+ 0 0 45 -4,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.924 112.4 52.9 -55.3 -40.0 37.1 8.2 11.3 139 35 C F H X S+ 0 0 128 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.3 0.897 105.9 55.0 -62.2 -36.1 34.4 10.7 12.5 140 36 C C H X S+ 0 0 1 -4,-2.9 4,-3.4 -3,-0.3 5,-0.4 0.962 103.5 53.0 -62.9 -50.7 32.3 9.5 9.6 141 37 C L H X S+ 0 0 36 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.954 114.3 42.5 -52.1 -49.9 32.5 5.8 10.5 142 38 C I H X S+ 0 0 75 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.896 114.0 53.0 -65.3 -36.2 31.3 6.6 14.0 143 39 C L H X S+ 0 0 56 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.968 108.7 47.7 -64.4 -50.0 28.7 9.1 12.6 144 40 C I H X S+ 0 0 26 -4,-3.4 4,-2.4 2,-0.2 5,-0.2 0.873 112.1 53.6 -60.2 -33.5 27.2 6.5 10.3 145 41 C C H X S+ 0 0 11 -4,-1.8 4,-2.2 -5,-0.4 5,-0.3 1.000 108.0 44.4 -65.2 -68.0 27.1 4.0 13.2 146 42 C L H X S+ 0 0 119 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.821 114.1 58.3 -45.7 -27.6 25.2 6.1 15.7 147 43 C L H >X S+ 0 0 25 -4,-1.6 4,-1.9 -5,-0.3 3,-0.6 0.997 103.1 45.8 -68.9 -65.8 23.0 6.8 12.7 148 44 C L H 3X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.884 111.8 55.8 -45.1 -39.8 21.9 3.2 11.8 149 45 C I H 3X S+ 0 0 79 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.3 0.949 104.9 51.9 -61.7 -45.0 21.2 2.7 15.5 150 46 C C H X S+ 0 0 24 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.927 111.9 50.2 -48.9 -48.4 16.8 4.4 12.6 152 48 C I H >< S+ 0 0 48 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.969 104.7 55.4 -57.1 -53.8 16.6 1.0 14.3 153 49 C V H 3< S+ 0 0 118 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.803 108.3 52.4 -50.7 -26.1 15.4 2.5 17.6 154 50 C M H << 0 0 128 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.862 360.0 360.0 -81.3 -34.4 12.6 4.1 15.5 155 51 C L << 0 0 115 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.841 360.0 360.0 -70.8 360.0 11.5 0.8 13.9 156 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 157 1 D M >> 0 0 146 0, 0.0 4,-3.6 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0-173.7 69.9 12.5 20.1 158 2 D E H >5 + 0 0 180 1,-0.3 4,-0.7 2,-0.2 5,-0.1 0.876 360.0 47.0 -49.6 -33.5 69.4 16.3 19.6 159 3 D K H >5S+ 0 0 147 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.869 119.7 38.1 -76.6 -35.1 67.1 15.2 16.7 160 4 D V H >>S+ 0 0 66 -3,-0.3 4,-3.0 2,-0.2 5,-0.6 0.959 113.0 53.2 -80.6 -53.9 65.4 12.6 18.8 161 5 D Q H X5S+ 0 0 149 -4,-3.6 4,-1.1 1,-0.3 -3,-0.2 0.822 111.8 51.5 -51.1 -26.6 65.2 14.5 22.1 162 6 D Y H XX S+ 0 0 54 -4,-1.5 4,-2.5 2,-0.2 3,-0.8 0.977 110.4 49.9 -77.3 -62.5 55.2 14.9 21.5 168 12 D I H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.1 52.5 -48.0 -24.0 55.2 14.7 25.3 169 13 D R H 3< S+ 0 0 164 -4,-1.0 3,-0.4 -5,-0.3 -1,-0.3 0.879 117.3 33.3 -80.7 -39.3 54.7 18.4 25.0 170 14 D R H << S+ 0 0 180 -4,-1.4 3,-0.2 -3,-0.8 -2,-0.2 0.486 118.2 55.8 -93.8 -1.8 51.7 18.3 22.6 171 15 D A S >< S+ 0 0 40 -4,-2.5 3,-1.1 1,-0.1 -1,-0.2 0.324 72.0 99.7-109.5 8.2 50.4 15.0 24.1 172 16 D S T 3 S+ 0 0 94 -3,-0.4 -1,-0.1 -5,-0.3 -2,-0.1 0.517 75.9 67.6 -72.6 2.1 50.1 16.3 27.7 173 17 D T T 3 S+ 0 0 118 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.051 93.8 70.4-108.8 30.9 46.4 16.7 26.9 174 18 D I < - 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0 0 109 -3,-1.2 2,-0.1 2,-0.1 -3,-0.0 -0.927 57.3-159.8-139.1 165.1 47.9 -16.3 20.3 227 19 E E + 0 0 175 -2,-0.3 -3,-0.1 3,-0.0 -4,-0.0 -0.546 46.1 112.2-149.0 79.6 47.4 -19.5 18.2 228 20 E M S S- 0 0 86 -2,-0.1 2,-1.3 4,-0.0 3,-0.1 -0.992 72.8-112.8-147.1 149.2 47.4 -18.8 14.4 229 21 E P - 0 0 99 0, 0.0 2,-3.2 0, 0.0 -2,-0.0 -0.003 48.8-124.1 -71.9 33.7 49.9 -19.8 11.6 230 22 E Q S >> S+ 0 0 134 -2,-1.3 3,-1.8 1,-0.3 4,-1.3 -0.215 105.7 73.2 57.6 -76.7 50.7 -16.0 11.3 231 23 E Q H 3> S+ 0 0 131 -2,-3.2 4,-2.3 1,-0.3 5,-0.3 0.801 94.1 53.3 -35.2 -39.6 49.7 -16.1 7.6 232 24 E A H 3> S+ 0 0 17 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.920 103.5 57.1 -70.6 -37.1 46.1 -16.4 8.6 233 25 E R H <> S+ 0 0 110 -3,-1.8 4,-2.0 2,-0.2 5,-0.2 0.978 115.3 34.9 -55.1 -57.3 46.4 -13.2 10.8 234 26 E Q H X S+ 0 0 130 -4,-1.3 4,-1.9 1,-0.2 5,-0.4 0.979 120.0 48.2 -63.7 -55.5 47.6 -11.0 7.9 235 27 E K H X S+ 0 0 117 -4,-2.3 4,-2.1 -5,-0.2 5,-0.4 0.871 112.3 52.1 -54.5 -36.7 45.4 -12.7 5.2 236 28 E L H X S+ 0 0 87 -4,-2.6 4,-2.8 -5,-0.3 5,-0.4 0.955 106.0 50.1 -69.9 -49.2 42.3 -12.4 7.5 237 29 E Q H X S+ 0 0 56 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.966 122.9 32.7 -56.2 -49.4 42.6 -8.7 8.3 238 30 E N H X S+ 0 0 93 -4,-1.9 4,-2.0 -5,-0.2 5,-0.3 0.988 122.7 45.0 -71.4 -58.3 42.9 -7.7 4.6 239 31 E L H X S+ 0 0 96 -4,-2.1 4,-2.2 -5,-0.4 -3,-0.2 0.883 113.4 55.1 -52.8 -36.8 40.8 -10.5 3.1 240 32 E F H X S+ 0 0 73 -4,-2.8 4,-2.9 -5,-0.4 5,-0.2 0.996 105.1 48.8 -62.5 -62.9 38.2 -9.8 5.8 241 33 E I H X S+ 0 0 67 -4,-1.9 4,-2.2 -5,-0.4 3,-0.3 0.931 114.9 45.1 -42.8 -57.8 37.7 -6.1 5.1 242 34 E N H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.922 112.4 53.0 -55.8 -39.4 37.3 -6.7 1.4 243 35 E F H X S+ 0 0 128 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.3 0.892 106.0 55.0 -62.8 -35.2 34.9 -9.6 2.4 244 36 E C H X S+ 0 0 3 -4,-2.9 4,-3.3 -3,-0.3 5,-0.4 0.967 103.6 52.9 -64.0 -51.6 33.0 -7.1 4.5 245 37 E L H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.949 114.3 42.5 -50.1 -50.5 32.4 -4.7 1.6 246 38 E I H X S+ 0 0 75 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.895 114.0 53.0 -65.4 -36.4 31.0 -7.5 -0.5 247 39 E L H X S+ 0 0 60 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.969 108.7 47.7 -64.2 -50.2 29.0 -8.8 2.5 248 40 E I H X S+ 0 0 27 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.879 112.0 53.6 -59.6 -34.5 27.4 -5.4 3.2 249 41 E C H X S+ 0 0 9 -4,-1.8 4,-2.2 -5,-0.4 5,-0.3 1.000 108.0 44.4 -63.9 -67.9 26.5 -5.2 -0.5 250 42 E L H X S+ 0 0 110 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.831 114.0 58.4 -46.0 -28.8 24.7 -8.5 -0.9 251 43 E L H >X S+ 0 0 30 -4,-1.7 4,-1.8 -5,-0.3 3,-0.7 1.000 103.0 45.7 -66.6 -65.9 23.1 -7.5 2.4 252 44 E L H 3X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.866 111.8 55.9 -45.4 -40.2 21.5 -4.2 1.2 253 45 E I H 3X S+ 0 0 80 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.3 0.947 104.9 51.9 -62.1 -44.6 20.3 -6.0 -1.9 254 46 E C H X S+ 0 0 30 -4,-1.8 4,-1.6 1,-0.2 3,-0.7 0.921 111.9 50.2 -46.0 -49.5 16.7 -5.9 2.3 256 48 E I H >< S+ 0 0 45 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.968 104.7 55.4 -56.8 -53.6 15.6 -4.3 -1.0 257 49 E V H 3< S+ 0 0 118 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.809 108.2 52.4 -51.0 -26.8 14.3 -7.5 -2.5 258 50 E M H << 0 0 143 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.859 360.0 360.0 -80.4 -33.9 12.1 -7.7 0.6 259 51 E L << 0 0 107 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.839 360.0 360.0 -71.3 360.0 10.6 -4.2 0.2