==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAR-06 2GHC . COMPND 2 MOLECULE: CYTOSOLIC ASCORBATE PEROXIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR S.K.BADYAL,M.G.JOYCE,K.H.SHARP,E.L.RAVEN,P.C.MOODY . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 63.1 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 . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 1 0 0 0 4 0 1 0 2 0 0 1 1 0 0 0 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X S 0 0 148 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 33.6 38.6 18.9 2 2 X G + 0 0 62 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.553 360.0 134.6 78.6 11.1 35.9 39.2 15.9 3 3 X K - 0 0 57 2,-0.0 2,-0.5 1,-0.0 -1,-0.2 -0.766 38.7-175.5-104.9 135.9 37.4 42.3 17.5 4 4 X S - 0 0 85 244,-2.3 244,-0.1 -2,-0.4 245,-0.0 -0.876 24.7-150.2-122.1 97.3 41.0 43.4 17.8 5 5 X Y - 0 0 69 -2,-0.5 113,-0.1 1,-0.1 2,-0.0 -0.408 16.5-117.8 -73.7 138.0 41.0 46.6 19.8 6 6 X P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.301 25.3-105.7 -73.7 157.4 43.7 49.2 19.2 7 7 X T - 0 0 143 111,-0.1 2,-0.3 -2,-0.0 111,-0.0 -0.650 36.8-173.2 -75.5 132.5 46.3 50.4 21.6 8 8 X V - 0 0 22 -2,-0.4 5,-0.0 1,-0.1 0, 0.0 -0.937 30.3 -95.6-121.6 156.8 45.7 53.8 23.1 9 9 X S > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.134 31.4-109.8 -65.3 160.6 48.1 55.7 25.3 10 10 X A H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 121.7 54.0 -55.4 -40.2 48.0 55.8 29.1 11 11 X D H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 106.6 51.1 -64.5 -37.2 46.9 59.4 28.9 12 12 X Y H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.946 111.3 47.9 -62.6 -48.0 44.0 58.5 26.6 13 13 X Q H X S+ 0 0 109 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 109.6 53.0 -58.9 -42.1 42.9 55.7 29.0 14 14 X K H X S+ 0 0 111 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.918 109.1 49.8 -56.7 -47.2 43.1 58.2 31.9 15 15 X A H X S+ 0 0 14 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.868 107.6 53.8 -63.8 -38.4 40.9 60.6 30.0 16 16 X V H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.944 110.1 47.4 -60.3 -47.7 38.3 57.8 29.2 17 17 X E H X S+ 0 0 98 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.902 115.6 43.8 -62.9 -42.9 38.1 57.0 32.9 18 18 X K H X S+ 0 0 66 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 112.6 52.0 -69.8 -40.4 37.7 60.6 34.0 19 19 X A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.874 104.7 57.3 -63.4 -37.7 35.2 61.4 31.1 20 20 X K H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.932 109.5 45.0 -57.3 -47.4 33.1 58.4 32.2 21 21 X K H X S+ 0 0 102 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.949 114.1 48.0 -60.2 -51.3 32.7 59.9 35.7 22 22 X K H X S+ 0 0 84 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.886 110.3 52.8 -61.0 -39.3 32.0 63.4 34.4 23 23 X L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.881 105.4 55.1 -63.1 -39.5 29.4 62.0 32.0 24 24 X R H X S+ 0 0 86 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.969 112.4 41.8 -55.5 -54.0 27.6 60.2 34.8 25 25 X G H X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 118.1 46.1 -61.5 -45.9 27.2 63.4 36.8 26 26 X F H X S+ 0 0 57 -4,-2.5 4,-2.6 2,-0.2 6,-0.2 0.929 114.6 45.1 -63.7 -49.1 26.3 65.5 33.8 27 27 X I H X>S+ 0 0 1 -4,-2.9 5,-1.2 2,-0.2 4,-1.2 0.902 114.6 49.0 -66.6 -41.0 23.8 63.1 32.3 28 28 X A H <5S+ 0 0 60 -4,-2.4 3,-0.5 -5,-0.4 -1,-0.2 0.953 114.1 46.1 -60.9 -47.5 22.1 62.3 35.6 29 29 X E H <5S+ 0 0 142 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.893 115.8 43.9 -65.1 -41.9 21.8 66.1 36.4 30 30 X K H <5S- 0 0 85 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.613 99.4-134.2 -80.0 -12.7 20.5 67.1 33.0 31 31 X R T <5 + 0 0 179 -4,-1.2 -3,-0.2 -3,-0.5 4,-0.2 0.821 66.9 127.2 63.2 34.0 18.0 64.1 32.9 32 32 X C >< + 0 0 9 -5,-1.2 4,-2.3 -6,-0.2 5,-0.2 0.186 18.3 117.8-111.4 17.0 19.2 63.5 29.3 33 33 X A H > S+ 0 0 3 -6,-0.5 4,-2.4 1,-0.2 5,-0.2 0.907 77.9 49.5 -51.6 -48.1 20.1 59.8 29.4 34 34 X P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.929 110.7 49.5 -62.5 -40.9 17.5 58.8 26.8 35 35 X L H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 111.6 49.9 -60.9 -39.1 18.5 61.5 24.4 36 36 X M H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.865 109.2 50.8 -68.7 -36.3 22.2 60.5 24.7 37 37 X L H X S+ 0 0 15 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.922 110.6 49.4 -66.0 -42.8 21.3 56.8 24.1 38 38 X R H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.918 109.7 52.5 -58.3 -44.5 19.4 57.9 20.9 39 39 X L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.938 110.4 46.9 -57.2 -48.1 22.4 59.9 19.9 40 40 X A H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 113.2 48.9 -62.6 -40.8 24.8 57.0 20.3 41 41 X A H X S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.875 111.7 48.5 -67.1 -38.6 22.4 54.7 18.4 42 42 X H H < S+ 0 0 33 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.787 111.9 49.9 -75.0 -26.7 21.9 57.1 15.5 43 43 X S H >< S+ 0 0 0 -4,-1.9 3,-0.7 -5,-0.2 12,-0.4 0.938 119.8 35.6 -70.7 -48.7 25.7 57.6 15.2 44 44 X A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.840 104.3 72.0 -73.6 -34.0 26.4 53.8 15.2 45 45 X G T 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.427 79.8 73.7 -71.4 -1.9 23.3 52.8 13.2 46 46 X T T < + 0 0 4 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.2 0.387 68.5 125.0 -88.2 1.4 24.5 54.1 9.9 47 47 X F < - 0 0 21 -3,-1.6 2,-0.5 7,-0.2 7,-0.2 -0.426 42.2-166.5 -66.2 133.0 27.1 51.3 9.5 48 48 X D B >>> -A 53 0A 40 5,-2.6 4,-1.7 -2,-0.2 5,-1.2 -0.972 6.9-160.9-119.6 114.7 26.9 49.3 6.3 49 49 X K T 345S+ 0 0 107 99,-3.2 -1,-0.1 -2,-0.5 99,-0.1 0.790 86.4 58.4 -66.8 -30.3 28.9 46.1 6.4 50 50 X G T 345S+ 0 0 70 97,-0.3 -1,-0.2 1,-0.2 98,-0.1 0.800 121.8 24.4 -70.4 -31.3 29.1 45.6 2.6 51 51 X T T <45S- 0 0 81 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.510 97.5-130.9-109.1 -11.8 30.8 48.9 2.0 52 52 X K T <5 + 0 0 170 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.880 62.6 135.8 55.5 42.1 32.4 49.5 5.4 53 53 X T B < +A 48 0A 55 -5,-1.2 -5,-2.6 -7,-0.1 -1,-0.2 -0.817 44.9 13.0-116.0 159.7 30.9 53.0 5.5 54 54 X G + 0 0 16 -2,-0.3 -7,-0.2 70,-0.2 -10,-0.1 -0.233 67.1 121.4 71.4-165.0 29.1 54.9 8.3 55 55 X G S S- 0 0 0 -12,-0.4 2,-2.1 -13,-0.2 4,-0.4 -0.442 77.3 -27.7 98.1-177.2 29.1 53.8 11.9 56 56 X P S S+ 0 0 0 0, 0.0 -12,-0.2 0, 0.0 42,-0.1 -0.430 84.5 124.4 -78.9 71.9 30.2 55.4 15.2 57 57 X F S S- 0 0 8 -2,-2.1 65,-2.8 -14,-0.3 37,-0.2 -0.057 84.7 -95.2-127.1 32.0 33.0 57.6 13.8 58 58 X G S > S+ 0 0 2 63,-0.2 3,-0.8 35,-0.2 63,-0.1 0.488 89.9 118.9 79.3 3.7 32.0 61.1 15.0 59 59 X T G > + 0 0 4 -4,-0.4 3,-2.1 1,-0.2 6,-0.4 0.705 54.3 81.1 -78.4 -18.3 30.2 62.2 11.9 60 60 X I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 5,-0.1 18,-0.1 0.747 84.9 60.7 -59.6 -24.2 26.9 62.7 13.7 61 61 X K G < S+ 0 0 70 -3,-0.8 -1,-0.3 4,-0.1 -2,-0.1 0.503 79.8 107.0 -82.5 -4.7 28.0 66.2 14.9 62 62 X H S X> S- 0 0 46 -3,-2.1 4,-2.4 1,-0.1 3,-0.9 -0.584 78.7-129.4 -70.0 131.5 28.5 67.4 11.3 63 63 X P H 3> S+ 0 0 111 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.861 108.4 59.8 -50.5 -36.0 25.6 69.8 10.5 64 64 X A H 34 S+ 0 0 66 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.867 110.0 39.6 -60.4 -40.8 25.0 67.7 7.3 65 65 X E H X4 S+ 0 0 0 -3,-0.9 3,-1.4 -6,-0.4 -1,-0.2 0.848 110.8 57.2 -79.0 -36.0 24.3 64.6 9.3 66 66 X L H 3< S+ 0 0 31 -4,-2.4 9,-0.2 1,-0.3 8,-0.2 0.783 100.0 62.4 -63.2 -25.7 22.3 66.4 12.1 67 67 X A T 3< S+ 0 0 78 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.576 74.7 113.7 -76.8 -13.7 20.0 67.7 9.3 68 68 X H S X S- 0 0 21 -3,-1.4 3,-1.9 -4,-0.2 4,-0.1 -0.385 77.1-124.5 -57.1 136.6 18.9 64.1 8.3 69 69 X S G > S+ 0 0 77 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.868 109.7 58.2 -56.7 -39.3 15.2 63.8 9.2 70 70 X A G 3 S+ 0 0 39 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.666 101.8 59.0 -63.8 -16.4 15.8 60.8 11.4 71 71 X N G X S+ 0 0 0 -3,-1.9 3,-2.4 -6,-0.2 4,-0.4 0.216 70.5 146.4-100.0 12.9 18.1 63.0 13.5 72 72 X N T < S+ 0 0 65 -3,-1.7 101,-0.1 1,-0.3 -5,-0.1 -0.287 74.0 14.9 -52.3 126.5 15.6 65.7 14.4 73 73 X G T >> S+ 0 0 11 -7,-0.1 3,-1.2 99,-0.1 4,-0.8 0.166 93.4 106.1 94.4 -16.6 16.5 67.0 17.9 74 74 X L H <> + 0 0 0 -3,-2.4 4,-2.3 1,-0.3 5,-0.2 0.726 65.5 73.2 -72.4 -18.2 20.0 65.4 18.1 75 75 X D H 3> S+ 0 0 93 -4,-0.4 4,-2.4 -9,-0.2 -1,-0.3 0.857 93.7 56.4 -57.0 -34.4 21.5 68.9 17.6 76 76 X I H <> S+ 0 0 46 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.927 106.6 48.5 -59.8 -47.9 20.4 69.4 21.2 77 77 X A H X S+ 0 0 0 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.917 111.5 48.6 -60.7 -45.3 22.4 66.3 22.4 78 78 X V H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.928 113.1 47.8 -61.9 -45.9 25.5 67.4 20.5 79 79 X R H < S+ 0 0 156 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.894 108.7 54.6 -62.3 -42.1 25.3 71.0 22.0 80 80 X L H < S+ 0 0 24 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.863 112.2 43.9 -59.8 -37.4 24.7 69.6 25.5 81 81 X L H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 3,-0.3 0.671 90.8 86.7 -82.8 -18.2 27.9 67.5 25.3 82 82 X E H X S+ 0 0 67 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.880 87.3 48.8 -57.0 -46.6 30.2 70.2 23.7 83 83 X P H 4 S+ 0 0 89 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.902 116.0 44.4 -60.6 -38.7 31.3 71.9 26.9 84 84 X L H >4 S+ 0 0 13 -4,-0.4 3,-1.4 -3,-0.3 4,-0.3 0.901 109.8 54.8 -70.4 -42.3 32.2 68.5 28.6 85 85 X K H >< S+ 0 0 8 -4,-2.9 3,-2.2 1,-0.3 6,-0.2 0.891 100.5 62.1 -56.2 -39.0 33.9 67.2 25.4 86 86 X A T 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.709 94.3 61.6 -61.3 -22.3 36.1 70.3 25.5 87 87 X E T < S+ 0 0 112 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.544 107.1 47.1 -78.5 -8.7 37.5 69.2 28.9 88 88 X F X + 0 0 15 -3,-2.2 3,-1.5 -4,-0.3 -1,-0.2 -0.529 63.5 161.6-131.4 64.2 38.8 66.0 27.1 89 89 X P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 71.4 63.3 -59.7 -25.7 40.6 67.3 24.0 90 90 X I T 3 S+ 0 0 84 -3,-0.1 2,-0.2 -79,-0.1 -78,-0.1 0.774 87.4 87.7 -70.0 -26.1 42.5 64.0 23.6 91 91 X L S < S- 0 0 5 -3,-1.5 2,-0.1 -6,-0.2 -3,-0.1 -0.466 80.6-120.5 -77.2 143.8 39.4 61.9 23.1 92 92 X S > - 0 0 15 27,-0.2 4,-2.3 -2,-0.2 5,-0.1 -0.488 19.7-124.7 -69.7 150.7 37.8 61.3 19.7 93 93 X Y H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.890 113.0 59.6 -59.3 -38.6 34.2 62.6 19.4 94 94 X A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.932 108.7 41.4 -55.5 -50.9 33.4 59.0 18.3 95 95 X D H > S+ 0 0 2 24,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.908 113.8 53.9 -63.5 -41.5 34.6 57.6 21.6 96 96 X F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 110.1 45.7 -62.9 -44.0 33.0 60.4 23.6 97 97 X Y H X S+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.904 114.5 47.2 -67.8 -40.8 29.6 59.8 22.1 98 98 X Q H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.897 111.6 51.5 -68.3 -35.5 29.7 56.1 22.4 99 99 X L H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.922 107.0 53.8 -64.4 -41.1 30.9 56.5 26.0 100 100 X A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.892 107.8 50.7 -59.5 -38.7 28.0 58.8 26.6 101 101 X G H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.901 110.6 48.4 -65.0 -41.4 25.6 56.1 25.4 102 102 X V H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 11,-0.3 0.922 113.4 47.7 -62.3 -45.0 27.1 53.5 27.7 103 103 X V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.881 105.0 59.6 -64.7 -39.0 26.9 55.9 30.6 104 104 X A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.904 109.0 44.4 -56.1 -43.1 23.2 56.7 29.7 105 105 X V H <>S+ 0 0 0 -4,-1.6 5,-2.9 2,-0.2 -1,-0.2 0.923 114.9 48.4 -66.6 -45.8 22.4 53.1 30.2 106 106 X E H ><5S+ 0 0 40 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.926 109.6 49.9 -64.6 -45.4 24.4 52.7 33.4 107 107 X V H 3<5S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.5 55.5 -68.7 -28.2 23.0 55.8 35.2 108 108 X T T 3<5S- 0 0 11 -4,-1.1 78,-2.9 -5,-0.3 -1,-0.3 0.369 129.4 -96.0 -83.2 4.8 19.4 54.9 34.5 109 109 X G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 76,-0.2 -2,-0.2 0.605 80.4 135.8 95.2 14.0 20.1 51.5 36.2 110 110 X G < - 0 0 10 -5,-2.9 -1,-0.2 1,-0.2 77,-0.1 -0.117 60.6 -64.9 -84.3-176.2 20.9 49.4 33.2 111 111 X P - 0 0 16 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.231 51.8-103.7 -68.2 159.4 23.6 46.8 32.6 112 112 X E - 0 0 154 -3,-0.1 -9,-0.1 -6,-0.1 -10,-0.0 -0.770 37.6-154.0 -84.6 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106.6 48.0 -66.3 -29.8 8.3 49.0 14.5 208 208 X D H X4 S+ 0 0 2 -3,-0.7 3,-1.5 -74,-0.2 4,-0.4 0.921 110.5 50.9 -70.4 -47.0 7.7 48.0 18.2 209 209 X K H >X S+ 0 0 89 -4,-2.4 3,-1.5 1,-0.3 4,-0.7 0.802 96.6 70.4 -62.2 -28.8 4.5 46.2 17.3 210 210 X A H 3X S+ 0 0 11 -4,-1.8 4,-0.7 1,-0.3 3,-0.4 0.778 89.3 63.4 -59.3 -28.6 6.3 44.3 14.6 211 211 X L H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 10,-0.2 0.780 96.3 58.2 -66.0 -27.7 8.2 42.4 17.3 212 212 X L H <4 S+ 0 0 38 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.792 110.0 39.7 -75.8 -28.7 5.0 40.8 18.6 213 213 X S H < S+ 0 0 102 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.465 90.4 100.0-103.5 -5.2 3.9 39.1 15.3 214 214 X D S X S- 0 0 20 -4,-0.7 4,-2.6 -3,-0.2 0, 0.0 -0.708 70.1-136.5 -85.3 132.0 7.3 37.9 14.0 215 215 X P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.803 103.6 35.3 -53.7 -36.8 8.0 34.2 14.7 216 216 X V T > S+ 0 0 68 2,-0.1 4,-0.8 1,-0.1 -5,-0.1 0.864 119.2 47.9 -86.7 -40.9 11.6 34.8 15.8 217 217 X F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.875 101.9 63.4 -70.3 -37.9 11.1 38.2 17.6 218 218 X R H X S+ 0 0 94 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.910 98.3 51.7 -59.9 -47.9 8.1 37.2 19.7 219 219 X P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.854 111.2 51.4 -55.8 -32.7 9.8 34.4 21.8 220 220 X L H X S+ 0 0 21 -4,-0.8 4,-2.7 -3,-0.4 5,-0.2 0.912 107.9 49.8 -69.7 -44.6 12.5 37.0 22.6 221 221 X V H X S+ 0 0 0 -4,-2.2 4,-2.3 -10,-0.2 5,-0.2 0.938 112.4 49.3 -55.0 -47.2 9.9 39.6 23.7 222 222 X D H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.914 111.2 49.0 -58.4 -46.5 8.3 36.9 25.9 223 223 X K H X S+ 0 0 81 -4,-2.3 4,-1.9 1,-0.2 8,-0.2 0.930 112.7 46.4 -60.7 -47.5 11.7 36.0 27.4 224 224 X Y H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -1,-0.2 0.845 110.7 52.4 -68.8 -33.0 12.7 39.6 28.2 225 225 X A H < S+ 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.861 117.8 38.9 -67.1 -33.7 9.2 40.4 29.7 226 226 X A H < S+ 0 0 89 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.716 124.3 36.5 -86.6 -23.6 9.6 37.3 32.0 227 227 X D X + 0 0 73 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 -0.815 53.0 179.4-142.3 91.5 13.3 37.6 32.8 228 228 X E H > S+ 0 0 68 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.838 88.0 58.7 -63.3 -33.5 14.9 41.1 33.2 229 229 X D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 106.1 48.1 -60.7 -42.1 18.3 39.4 33.9 230 230 X A H > S+ 0 0 18 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 111.6 50.8 -65.4 -40.9 18.1 37.8 30.5 231 231 X F H X S+ 0 0 0 -4,-2.0 4,-3.2 -7,-0.2 5,-0.2 0.948 109.4 50.2 -59.5 -49.0 17.2 41.1 28.9 232 232 X F H X S+ 0 0 38 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.894 111.6 48.4 -58.8 -41.5 20.1 42.9 30.6 233 233 X A H X S+ 0 0 60 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.948 116.7 41.0 -64.0 -50.3 22.6 40.2 29.4 234 234 X D H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.868 114.4 53.5 -66.8 -37.3 21.4 40.3 25.8 235 235 X Y H X S+ 0 0 4 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.943 108.0 49.5 -62.3 -48.2 21.1 44.1 25.9 236 236 X A H X S+ 0 0 16 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.912 112.6 48.4 -59.0 -41.8 24.7 44.6 27.1 237 237 X E H X S+ 0 0 95 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.930 115.1 44.3 -61.2 -47.4 25.9 42.2 24.3 238 238 X A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.897 112.4 50.5 -68.6 -42.3 23.9 44.0 21.6 239 239 X H H X S+ 0 0 2 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.931 109.5 51.8 -63.6 -43.9 24.8 47.5 22.7 240 240 X Q H X S+ 0 0 40 -4,-2.2 4,-0.8 -5,-0.3 -2,-0.2 0.952 112.0 46.7 -56.4 -48.0 28.5 46.7 22.8 241 241 X K H >< S+ 0 0 57 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.931 112.5 49.3 -59.2 -47.1 28.2 45.3 19.2 242 242 X L H >< S+ 0 0 13 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.924 110.0 51.2 -56.3 -46.9 26.2 48.4 18.0 243 243 X S H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.623 113.4 46.6 -68.2 -14.3 28.8 50.7 19.6 244 244 X E T X< S+ 0 0 4 -3,-1.0 3,-2.3 -4,-0.8 -1,-0.3 0.219 74.4 142.9-115.0 12.5 31.6 48.9 17.8 245 245 X L T < S+ 0 0 13 -3,-1.4 3,-0.1 1,-0.3 -95,-0.1 -0.328 83.1 0.4 -58.8 128.3 30.3 48.5 14.3 246 246 X G T 3 S+ 0 0 29 1,-0.2 2,-0.4 -97,-0.2 3,-0.3 0.486 111.1 115.4 72.1 3.6 33.1 49.0 11.8 247 247 X F S < S- 0 0 9 -3,-2.3 -1,-0.2 2,-0.3 -128,-0.1 -0.906 83.2 -4.1-114.0 131.2 35.5 49.4 14.7 248 248 X A 0 0 16 -2,-0.4 -244,-2.3 -245,-0.1 -1,-0.2 0.818 360.0 360.0 60.6 34.5 38.4 47.1 15.5 249 249 X D 0 0 141 -3,-0.3 -2,-0.3 -246,-0.2 -3,-0.1 0.759 360.0 360.0 94.5 360.0 37.0 44.8 12.7