==== 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 TRANSFERASE 03-APR-10 3MFU . COMPND 2 MOLECULE: PERIPHERAL PLASMA MEMBRANE PROTEIN CASK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.WAHL,K.MUKHERJEE . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 5 1 1 0 0 0 3 0 0 1 0 0 2 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 . 2 1 1 0 2 0 2 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 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 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 5 A D 0 0 206 0, 0.0 2,-0.3 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0-134.4 -35.6 28.3 16.2 2 6 A V - 0 0 62 4,-0.0 2,-0.4 3,-0.0 3,-0.0 -0.739 360.0-149.1 -88.1 146.2 -34.4 27.9 12.6 3 7 A L >> - 0 0 85 -2,-0.3 3,-2.4 1,-0.1 4,-0.8 -0.929 22.6-123.5-111.6 141.8 -36.7 26.3 10.1 4 8 A F H >> S+ 0 0 2 -2,-0.4 4,-2.2 1,-0.3 3,-0.9 0.871 114.8 57.8 -45.0 -38.0 -35.4 24.3 7.2 5 9 A E H 34 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.442 90.1 69.3 -83.2 1.1 -37.4 26.7 5.0 6 10 A D H <4 S+ 0 0 90 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.796 114.1 29.6 -73.9 -33.4 -35.6 29.7 6.4 7 11 A V H << S+ 0 0 42 -3,-0.9 21,-2.6 -4,-0.8 22,-0.4 0.811 127.3 36.9 -93.9 -38.9 -32.5 28.4 4.5 8 12 A Y E < -A 27 0A 7 -4,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.894 64.8-135.7-123.6 145.5 -34.2 26.6 1.6 9 13 A E E -A 26 0A 96 17,-2.9 17,-2.6 -2,-0.3 2,-0.3 -0.872 32.6-129.6 -89.5 128.3 -37.2 27.0 -0.7 10 14 A L E +A 25 0A 34 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.630 32.4 177.7 -78.4 133.9 -39.1 23.6 -1.1 11 15 A C E - 0 0 17 13,-2.9 -1,-0.0 -2,-0.3 14,-0.0 -0.330 37.6 -24.8-120.3-158.0 -39.8 22.6 -4.7 12 16 A E E - 0 0 94 11,-0.1 12,-2.3 -2,-0.1 2,-0.3 -0.091 60.7-107.9 -62.6 149.7 -41.4 19.5 -6.4 13 17 A V E -A 23 0A 81 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.546 31.7-178.5 -65.3 130.2 -41.6 16.0 -5.0 14 18 A I E - 0 0 97 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.811 65.4 -8.4 -97.5 -49.9 -39.3 13.7 -6.9 15 19 A G E -A 22 0A 27 7,-1.4 7,-3.0 2,-0.0 -1,-0.4 -0.966 59.2-147.4-143.5 160.3 -40.1 10.5 -5.2 16 20 A K + 0 0 163 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.168 14.4 179.2-107.3-151.3 -42.1 9.2 -2.2 17 21 A G - 0 0 42 3,-0.3 5,-0.0 -2,-0.1 -2,-0.0 -0.929 48.7 -76.1 163.2 175.2 -41.6 6.3 0.2 18 22 A A S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.876 124.9 0.3 -70.7 -36.8 -43.2 4.7 3.1 19 23 A F S S+ 0 0 68 -3,-0.1 21,-2.2 25,-0.0 2,-0.2 0.443 126.3 64.4-129.0 -12.2 -42.2 7.3 5.7 20 24 A S E - B 0 39A 21 19,-0.2 2,-0.3 24,-0.0 -3,-0.3 -0.651 53.6-159.5-113.2 165.6 -40.2 9.7 3.6 21 25 A V E - B 0 38A 21 17,-1.4 17,-3.2 -2,-0.2 2,-0.5 -0.974 13.3-149.0-139.4 140.3 -40.6 12.1 0.7 22 26 A V E +AB 15 37A 42 -7,-3.0 -8,-3.3 -2,-0.3 -7,-1.4 -0.958 25.2 170.2-111.3 129.8 -37.8 13.3 -1.6 23 27 A R E -AB 13 36A 72 13,-2.5 13,-3.2 -2,-0.5 -10,-0.2 -0.975 36.4-112.4-136.8 147.8 -38.0 16.8 -3.0 24 28 A R E - B 0 35A 48 -12,-2.3 -13,-2.9 -2,-0.3 2,-0.3 -0.533 40.6-179.3 -67.8 144.5 -35.9 19.3 -4.9 25 29 A C E -AB 10 34A 0 9,-2.4 9,-2.7 -15,-0.2 2,-0.4 -0.963 17.6-136.9-145.0 162.4 -35.1 22.4 -2.8 26 30 A I E -AB 9 33A 36 -17,-2.6 -17,-2.9 -2,-0.3 2,-0.4 -0.978 19.6-120.7-128.4 129.2 -33.2 25.6 -3.4 27 31 A N E > -A 8 0A 28 5,-3.3 4,-2.7 -2,-0.4 -19,-0.2 -0.591 25.1-146.4 -63.7 119.7 -30.7 27.5 -1.2 28 32 A R T 4 S+ 0 0 130 -21,-2.6 -1,-0.2 -2,-0.4 -20,-0.1 0.854 92.8 42.5 -59.7 -40.0 -32.4 30.9 -0.9 29 33 A E T 4 S+ 0 0 184 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.948 128.3 24.5 -72.3 -48.8 -29.1 32.8 -0.7 30 34 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.708 90.1-130.2 -93.9 -25.5 -27.2 31.0 -3.5 31 35 A G < + 0 0 47 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.400 54.6 151.0 80.0 -0.1 -29.8 29.6 -5.8 32 36 A Q - 0 0 120 -5,-0.1 -5,-3.3 -6,-0.1 -1,-0.3 -0.459 42.2-129.1 -65.5 133.8 -28.1 26.2 -5.6 33 37 A Q E +B 26 0A 85 -7,-0.2 56,-0.6 -2,-0.2 2,-0.3 -0.626 31.6 170.4 -79.8 141.5 -30.4 23.1 -6.0 34 38 A F E -BC 25 88A 28 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.5 -0.889 32.2-119.2-139.3 169.6 -30.3 20.2 -3.6 35 39 A A E -BC 24 87A 12 52,-2.8 52,-3.6 -2,-0.3 2,-0.5 -0.966 27.2-160.5-109.8 131.5 -32.4 17.1 -2.9 36 40 A V E -BC 23 86A 0 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.6 -0.957 8.4-154.1-114.6 130.5 -34.0 16.9 0.5 37 41 A K E -BC 22 85A 30 48,-3.1 48,-3.1 -2,-0.5 2,-0.6 -0.936 15.7-162.2-100.4 116.2 -35.3 13.7 2.1 38 42 A I E -BC 21 84A 16 -17,-3.2 -17,-1.4 -2,-0.6 2,-0.4 -0.896 4.3-166.7-106.7 116.6 -38.0 14.5 4.6 39 43 A V E -BC 20 83A 4 44,-2.6 44,-2.5 -2,-0.6 2,-1.0 -0.869 21.0-138.6-104.6 133.7 -38.9 11.8 7.1 40 44 A D E > - C 0 82A 60 -21,-2.2 4,-1.8 -2,-0.4 42,-0.2 -0.843 21.2-163.3 -84.7 102.8 -42.0 11.9 9.3 41 45 A V H > S+ 0 0 42 40,-1.8 4,-2.4 -2,-1.0 5,-0.2 0.868 82.5 48.4 -61.9 -43.7 -40.3 10.8 12.5 42 46 A A H > S+ 0 0 63 39,-0.6 4,-1.8 2,-0.2 3,-0.3 0.994 113.4 45.1 -58.1 -67.6 -43.5 9.8 14.4 43 47 A K H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.771 115.7 51.2 -43.5 -36.2 -45.0 7.8 11.5 44 48 A F H < S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.919 107.8 47.9 -70.9 -48.7 -41.6 6.1 11.0 45 49 A T H < S+ 0 0 52 -4,-2.4 2,-0.7 -3,-0.3 -2,-0.2 0.722 98.9 81.3 -69.8 -23.4 -41.0 5.1 14.7 46 50 A S < + 0 0 80 -4,-1.8 5,-0.1 -5,-0.2 -1,-0.0 -0.783 69.5 69.2 -84.0 114.9 -44.5 3.6 14.7 47 51 A S S S- 0 0 69 -2,-0.7 2,-0.2 3,-0.2 -1,-0.2 0.219 99.8-115.1-154.8 -61.3 -44.5 0.1 13.1 48 52 A P S S+ 0 0 116 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.242 96.6 54.1 -93.4-136.2 -42.9 -1.3 15.3 49 53 A G S S+ 0 0 75 1,-0.2 2,-0.3 -2,-0.2 -3,-0.1 -0.088 93.8 92.6 77.7 -37.2 -39.4 -2.7 14.9 50 54 A L + 0 0 49 -2,-0.7 2,-0.2 -6,-0.2 -1,-0.2 -0.704 55.9 157.3 -88.4 140.4 -38.4 0.7 13.6 51 55 A S >> - 0 0 44 -2,-0.3 4,-1.0 -3,-0.1 3,-0.7 -0.741 59.1 -74.9-145.3-172.7 -37.0 3.2 16.1 52 56 A T H 3> S+ 0 0 82 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.829 122.4 65.5 -59.5 -33.5 -34.9 6.3 16.7 53 57 A E H 3> S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.773 96.2 52.3 -62.9 -33.3 -31.8 4.1 16.1 54 58 A D H <> S+ 0 0 39 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.850 112.8 44.4 -76.0 -35.6 -32.6 3.3 12.5 55 59 A L H X S+ 0 0 9 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.942 116.1 47.5 -67.7 -49.1 -32.9 7.0 11.6 56 60 A K H X S+ 0 0 138 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.794 111.2 51.0 -63.5 -32.2 -29.8 7.9 13.6 57 61 A R H X S+ 0 0 69 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.866 110.4 47.7 -76.0 -37.8 -27.8 5.0 12.0 58 62 A E H X S+ 0 0 12 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.843 114.8 47.7 -66.2 -36.7 -28.7 6.1 8.4 59 63 A A H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.904 113.1 47.6 -71.2 -41.3 -27.8 9.6 9.3 60 64 A S H X S+ 0 0 78 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.875 113.7 46.7 -66.3 -41.9 -24.5 8.6 10.9 61 65 A I H X S+ 0 0 13 -4,-2.2 4,-1.7 2,-0.2 3,-0.3 0.915 113.5 48.0 -68.5 -45.5 -23.5 6.3 8.0 62 66 A C H < S+ 0 0 9 -4,-2.0 11,-0.6 1,-0.2 -2,-0.2 0.837 108.5 54.6 -64.1 -37.6 -24.3 8.9 5.3 63 67 A H H < S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.6 43.7 -64.6 -31.5 -22.4 11.7 7.2 64 68 A M H < S+ 0 0 84 -4,-1.0 2,-1.1 -3,-0.3 -2,-0.2 0.800 94.8 84.9 -87.6 -28.7 -19.3 9.5 7.2 65 69 A L < + 0 0 1 -4,-1.7 2,-0.6 -5,-0.1 8,-0.4 -0.626 51.8 167.2 -84.0 100.7 -19.5 8.3 3.7 66 70 A K + 0 0 81 -2,-1.1 5,-0.1 6,-0.1 -3,-0.0 -0.952 15.4 137.2-115.9 114.4 -17.8 10.9 1.4 67 71 A H > - 0 0 44 -2,-0.6 3,-2.0 3,-0.5 57,-0.1 -0.988 60.1-121.2-156.2 145.6 -17.1 9.7 -2.1 68 72 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 56,-0.1 0.700 117.2 45.2 -62.2 -18.8 -17.4 11.0 -5.7 69 73 A H T 3 S+ 0 0 24 86,-0.1 87,-2.8 54,-0.1 2,-0.4 0.063 100.4 79.6-110.8 23.6 -19.6 8.0 -6.5 70 74 A I B < S-e 156 0B 3 -3,-2.0 -3,-0.5 85,-0.3 2,-0.2 -1.000 90.4-109.8-128.0 128.5 -21.9 8.2 -3.4 71 75 A V - 0 0 17 85,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.404 44.8-127.1 -56.1 117.6 -24.7 10.7 -3.1 72 76 A E - 0 0 69 -2,-0.2 16,-2.0 -4,-0.1 2,-0.6 -0.522 7.7-141.1 -81.2 133.9 -23.4 13.1 -0.5 73 77 A L E -D 87 0A 5 -11,-0.6 14,-0.3 -8,-0.4 3,-0.1 -0.832 20.9-177.8 -86.1 122.9 -25.3 14.1 2.6 74 78 A L E - 0 0 68 12,-3.7 2,-0.3 -2,-0.6 13,-0.2 0.835 56.4 -30.1 -92.2 -39.4 -24.7 17.8 3.1 75 79 A E E -D 86 0A 76 11,-1.1 11,-2.8 2,-0.0 -1,-0.4 -0.957 51.7-134.4-171.6 161.0 -26.6 18.6 6.3 76 80 A T E -D 85 0A 66 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 12.2-161.9-131.2 144.2 -29.6 17.5 8.4 77 81 A Y E -D 84 0A 34 7,-2.3 7,-2.9 -2,-0.4 2,-0.4 -0.922 3.3-159.5-120.0 149.9 -32.3 19.6 10.1 78 82 A S E +D 83 0A 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.944 33.3 132.2-132.0 110.1 -34.7 18.6 12.8 79 83 A S + 0 0 23 3,-1.8 3,-0.4 -2,-0.4 -75,-0.1 -0.918 63.9 12.6-158.1 133.3 -37.9 20.6 13.3 80 84 A D S S- 0 0 124 -2,-0.3 3,-0.1 1,-0.2 -77,-0.0 0.627 125.5 -62.0 81.6 20.9 -41.6 19.8 13.7 81 85 A G S S+ 0 0 50 1,-0.3 -40,-1.8 -40,-0.1 -39,-0.6 0.720 113.8 122.1 70.1 21.9 -41.1 16.0 14.3 82 86 A M E -C 40 0A 63 -3,-0.4 -3,-1.8 -42,-0.2 2,-0.6 -0.953 55.3-148.2-118.9 139.2 -39.6 16.1 10.8 83 87 A L E -CD 39 78A 18 -44,-2.5 -44,-2.6 -2,-0.4 2,-0.7 -0.919 10.6-162.7-104.9 121.1 -36.1 15.0 9.7 84 88 A Y E -CD 38 77A 14 -7,-2.9 -7,-2.3 -2,-0.6 2,-0.7 -0.911 4.3-171.7-107.3 111.6 -34.6 16.9 6.7 85 89 A M E -CD 37 76A 1 -48,-3.1 -48,-3.1 -2,-0.7 2,-0.7 -0.910 11.4-154.4-104.2 111.5 -31.7 15.2 5.0 86 90 A V E +CD 36 75A 0 -11,-2.8 -12,-3.7 -2,-0.7 -11,-1.1 -0.773 18.9 177.0 -94.2 110.5 -30.1 17.5 2.5 87 91 A F E -CD 35 73A 27 -52,-3.6 -52,-2.8 -2,-0.7 -14,-0.2 -0.763 39.9 -89.2-105.7 154.7 -28.3 15.6 -0.3 88 92 A E E -C 34 0A 37 -16,-2.0 2,-0.4 -2,-0.3 -54,-0.2 -0.351 55.9-104.0 -51.8 142.1 -26.5 16.8 -3.4 89 93 A F - 0 0 38 -56,-0.6 2,-0.7 -64,-0.1 -1,-0.1 -0.634 25.2-151.9 -81.0 126.7 -29.1 17.0 -6.2 90 94 A M - 0 0 17 -2,-0.4 56,-0.2 1,-0.1 57,-0.2 -0.894 6.1-164.7 -99.2 112.4 -28.9 14.2 -8.8 91 95 A D + 0 0 70 55,-2.7 57,-0.3 -2,-0.7 2,-0.3 0.192 62.9 70.6 -90.6 16.9 -30.2 15.8 -11.9 92 96 A G S S- 0 0 10 53,-1.3 2,-0.1 55,-0.2 56,-0.1 -0.839 78.5-116.2-125.4 164.5 -30.7 12.4 -13.7 93 97 A A - 0 0 29 -2,-0.3 52,-1.8 1,-0.2 54,-0.1 -0.297 59.0 -60.8 -83.0 179.4 -33.0 9.5 -13.4 94 98 A D B >> -F 144 0B 8 50,-0.2 4,-2.1 -2,-0.1 3,-0.6 -0.155 57.9 -97.6 -63.0 162.9 -31.8 6.0 -12.4 95 99 A L H 3> S+ 0 0 0 48,-2.6 4,-2.0 45,-0.7 49,-0.1 0.853 119.1 49.0 -45.8 -51.6 -29.2 4.2 -14.6 96 100 A C H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.787 110.1 49.0 -72.4 -32.6 -31.7 2.1 -16.6 97 101 A F H <> S+ 0 0 36 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.911 113.5 49.3 -66.6 -43.2 -34.1 4.8 -17.5 98 102 A E H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.800 100.7 62.2 -70.6 -31.9 -31.2 7.0 -18.7 99 103 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.932 107.2 45.4 -57.6 -43.7 -29.6 4.2 -20.8 100 104 A V H X S+ 0 0 9 -4,-1.0 4,-2.9 -3,-0.2 5,-0.2 0.886 110.5 52.6 -70.4 -40.1 -32.8 4.2 -23.0 101 105 A K H X S+ 0 0 95 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.891 109.4 52.1 -57.1 -40.9 -32.9 8.0 -23.2 102 106 A R H <>S+ 0 0 38 -4,-2.4 5,-2.4 2,-0.2 -2,-0.2 0.915 112.7 43.3 -60.2 -46.8 -29.3 7.8 -24.4 103 107 A A H ><5S+ 0 0 15 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.865 114.4 49.1 -70.2 -39.1 -30.2 5.3 -27.1 104 108 A D H 3<5S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.828 104.0 61.1 -69.4 -32.2 -33.3 7.1 -28.2 105 109 A A T 3<5S- 0 0 70 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.566 128.2-100.8 -68.9 -7.8 -31.3 10.4 -28.3 106 110 A G T < 5S+ 0 0 65 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.445 78.7 132.9 104.1 3.4 -29.2 8.6 -31.0 107 111 A F < - 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0 0 3 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.201 17.5-121.5 -63.8 154.8 -18.8 -10.9 -25.0 243 247 A E H > S+ 0 0 123 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.909 113.8 57.8 -60.2 -41.7 -17.5 -14.0 -23.2 244 248 A S H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 27,-0.2 0.885 106.7 46.6 -59.2 -43.1 -15.5 -11.7 -20.9 245 249 A A H > S+ 0 0 0 33,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 114.0 48.5 -62.0 -43.7 -18.7 -9.8 -19.7 246 250 A K H X S+ 0 0 26 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.890 107.3 55.7 -65.6 -41.0 -20.5 -13.1 -19.2 247 251 A D H X S+ 0 0 50 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.920 108.7 47.6 -54.2 -45.3 -17.5 -14.4 -17.2 248 252 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.909 109.8 53.1 -61.9 -46.7 -17.8 -11.3 -14.9 249 253 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.896 110.2 47.2 -52.3 -47.0 -21.6 -11.9 -14.5 250 254 A R H < S+ 0 0 94 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 111.1 51.0 -66.6 -41.3 -21.0 -15.5 -13.5 251 255 A R H >< S+ 0 0 121 -4,-2.0 10,-1.9 1,-0.2 3,-0.7 0.859 113.4 45.8 -64.6 -35.0 -18.3 -14.5 -11.0 252 256 A M H 3< S+ 0 0 0 -4,-2.1 -50,-0.3 1,-0.2 -2,-0.2 0.797 113.0 49.2 -76.7 -30.4 -20.6 -11.9 -9.4 253 257 A L T 3< S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.2 -0.002 77.8 149.4-101.5 27.4 -23.6 -14.2 -9.2 254 258 A M < - 0 0 78 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.430 45.9-140.8 -60.6 129.7 -21.7 -17.1 -7.6 255 259 A L S S+ 0 0 72 -2,-0.2 -70,-0.2 -26,-0.1 -1,-0.1 0.913 89.2 65.6 -59.6 -48.7 -24.0 -19.1 -5.4 256 260 A D S >> S- 0 0 85 1,-0.2 3,-1.6 -72,-0.1 4,-1.2 -0.707 72.8-155.6 -81.6 113.4 -21.4 -19.7 -2.7 257 261 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.789 94.3 61.3 -62.6 -27.4 -20.6 -16.3 -1.2 258 262 A A T 34 S+ 0 0 77 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.784 111.4 39.3 -63.6 -29.5 -17.2 -17.6 -0.1 259 263 A E T <4 S+ 0 0 137 -3,-1.6 -1,-0.2 2,-0.1 -4,-0.1 0.536 91.3 112.2 -99.9 -11.1 -16.4 -18.2 -3.8 260 264 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.323 79.8-100.8 -59.9 140.3 -18.0 -15.0 -5.2 261 265 A I - 0 0 16 -10,-1.9 2,-0.1 -13,-0.1 -1,-0.1 -0.369 40.3-128.3 -56.1 139.9 -15.7 -12.4 -6.7 262 266 A T > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.1 -0.391 23.3-105.6 -82.9 171.0 -15.0 -9.6 -4.1 263 267 A V H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.890 123.5 51.9 -61.9 -37.2 -15.5 -5.9 -5.0 264 268 A Y H > S+ 0 0 90 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.870 112.4 43.6 -67.5 -42.9 -11.6 -5.6 -5.1 265 269 A E H >> S+ 0 0 109 2,-0.2 4,-0.6 1,-0.1 3,-0.6 0.885 110.8 55.7 -67.6 -41.9 -11.3 -8.6 -7.5 266 270 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 6,-0.3 0.935 104.6 52.1 -57.3 -48.7 -14.2 -7.4 -9.7 267 271 A L H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.738 109.2 53.2 -57.5 -24.3 -12.5 -4.0 -10.2 268 272 A N H << S+ 0 0 102 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.539 82.3 114.1 -89.4 -10.1 -9.5 -6.0 -11.3 269 273 A H S XX S- 0 0 14 -3,-1.8 4,-3.3 -4,-0.6 3,-1.6 -0.400 75.8-123.4 -60.0 134.8 -11.5 -8.0 -13.9 270 274 A P H 3> S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 8,-0.3 0.812 109.6 60.9 -52.6 -36.9 -10.3 -7.3 -17.5 271 275 A W H 34 S+ 0 0 0 -27,-0.2 8,-0.1 2,-0.2 7,-0.1 0.804 119.7 27.7 -63.0 -29.9 -13.8 -6.2 -18.6 272 276 A L H X4 S+ 0 0 0 -3,-1.6 3,-0.6 -6,-0.3 -1,-0.2 0.859 126.3 43.7 -94.1 -46.7 -13.7 -3.4 -16.0 273 277 A K H 3< S+ 0 0 99 -4,-3.3 -2,-0.2 1,-0.3 2,-0.1 0.767 129.4 25.0 -73.1 -31.5 -10.0 -2.7 -15.7 274 278 A E T 3X + 0 0 85 -4,-2.5 4,-1.7 -5,-0.4 3,-0.5 -0.573 69.9 149.2-133.0 68.7 -9.2 -2.8 -19.4 275 279 A R H <> + 0 0 56 -3,-0.6 4,-1.5 1,-0.2 2,-1.2 0.813 64.8 71.9 -74.0 -29.2 -12.5 -1.9 -21.1 276 280 A D H 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 -5,-0.1 -0.057 118.1 20.2 -74.7 37.5 -10.8 -0.3 -24.1 277 281 A R H 4 S+ 0 0 189 -2,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.254 129.8 40.3-174.3 -37.7 -9.8 -3.8 -25.1 278 282 A Y H < S+ 0 0 92 -4,-1.7 2,-0.4 -8,-0.3 -33,-0.2 0.670 97.0 75.4-108.5 -22.9 -12.1 -6.3 -23.4 279 283 A A S < S- 0 0 4 -4,-1.5 2,-0.1 -5,-0.3 -167,-0.1 -0.766 83.2-116.7 -94.6 138.0 -15.6 -4.7 -23.6 280 284 A Y - 0 0 122 -2,-0.4 -168,-1.3 1,-0.1 -169,-0.7 -0.422 14.5-156.1 -74.9 148.7 -17.5 -4.7 -27.0 281 285 A K + 0 0 143 -170,-0.2 -1,-0.1 -171,-0.2 2,-0.1 0.336 53.0 114.4-110.7 2.4 -18.2 -1.3 -28.6 282 286 A I S S- 0 0 94 -42,-0.1 -171,-0.4 1,-0.1 2,-0.2 -0.420 74.8-102.4 -70.0 149.6 -21.2 -2.3 -30.8 283 287 A H - 0 0 70 -173,-0.1 -173,-0.2 -2,-0.1 -1,-0.1 -0.500 27.9-142.7 -67.9 143.4 -24.7 -0.8 -30.1 284 288 A L > + 0 0 5 -175,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.678 29.8 165.1-112.0 75.0 -27.0 -3.2 -28.3 285 289 A P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.881 76.6 53.1 -64.6 -38.1 -30.5 -2.6 -29.7 286 290 A E H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 110.9 48.1 -56.3 -51.3 -32.0 -5.9 -28.2 287 291 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.924 110.7 51.4 -49.8 -49.4 -30.8 -4.9 -24.8 288 292 A V H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 109.5 50.2 -60.1 -40.6 -32.2 -1.4 -25.2 289 293 A E H X S+ 0 0 77 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.848 111.6 46.6 -69.1 -37.6 -35.6 -2.8 -26.2 290 294 A Q H X S+ 0 0 45 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.908 110.7 53.7 -67.5 -44.2 -35.7 -5.1 -23.2 291 295 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.907 105.2 54.8 -50.5 -45.5 -34.7 -2.2 -20.9 292 296 A R H X S+ 0 0 82 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.903 112.8 41.9 -56.9 -44.1 -37.6 -0.2 -22.4 293 297 A K H X S+ 0 0 86 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.913 113.3 52.5 -67.7 -44.5 -40.0 -3.0 -21.4 294 298 A F H X S+ 0 0 25 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.894 112.6 46.4 -57.5 -42.5 -38.3 -3.4 -18.0 295 299 A N H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.902 108.4 54.5 -67.5 -46.2 -38.6 0.3 -17.4 296 300 A A H X S+ 0 0 45 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.891 109.0 49.1 -54.0 -43.5 -42.3 0.4 -18.4 297 301 A R H X S+ 0 0 167 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.4 49.8 -64.5 -39.8 -43.1 -2.4 -15.9 298 302 A R H < S+ 0 0 36 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.4 46.6 -65.6 -43.1 -41.2 -0.5 -13.1 299 303 A K H < S+ 0 0 149 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.628 112.6 51.8 -79.4 -17.1 -43.0 2.8 -13.8 300 304 A L H < S+ 0 0 142 -4,-1.1 2,-1.6 -5,-0.2 -2,-0.2 0.919 103.1 57.7 -74.3 -53.6 -46.4 1.0 -13.9 301 305 A K < 0 0 198 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.045 360.0 360.0 -69.4 36.3 -45.7 -0.8 -10.6 302 306 A G 0 0 103 -2,-1.6 -3,-0.1 -3,-0.4 -4,-0.0 -0.766 360.0 360.0-176.8 360.0 -45.4 2.7 -8.9