==== 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 3MFR . 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) . 14839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 67.9 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 33.8 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 2 0 0 0 0 3 0 0 1 0 0 1 1 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 0 194 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.5 -35.5 29.5 16.1 2 6 A V - 0 0 69 4,-0.0 2,-0.3 3,-0.0 3,-0.1 -0.308 360.0-163.1 -80.8 160.0 -34.6 28.1 12.6 3 7 A L >> - 0 0 81 1,-0.1 3,-2.3 -2,-0.1 4,-0.7 -0.986 27.7-128.2-139.4 134.7 -36.8 26.6 9.9 4 8 A F H >> S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.3 3,-1.0 0.859 111.6 57.2 -48.3 -39.8 -35.5 24.6 7.0 5 9 A E H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.538 89.4 72.2 -75.9 -6.1 -37.6 26.9 4.7 6 10 A D H <4 S+ 0 0 96 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.844 113.2 28.7 -66.2 -35.5 -35.7 30.0 6.0 7 11 A V H << S+ 0 0 41 -3,-1.0 21,-2.4 -4,-0.7 22,-0.5 0.819 127.3 35.7 -91.3 -37.7 -32.8 28.7 4.0 8 12 A Y E < -A 27 0A 8 -4,-1.9 2,-0.5 19,-0.2 19,-0.2 -0.870 65.4-133.4-125.8 147.5 -34.4 26.8 1.2 9 13 A E E -A 26 0A 97 17,-2.6 17,-2.2 -2,-0.3 2,-0.4 -0.891 33.6-126.8 -91.6 130.5 -37.5 27.0 -1.1 10 14 A L E +A 25 0A 33 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.695 35.2 176.6 -80.6 131.1 -39.2 23.6 -1.3 11 15 A C E - 0 0 16 13,-2.6 -1,-0.0 -2,-0.4 14,-0.0 -0.248 36.2 -23.6-118.2-158.1 -39.8 22.4 -4.8 12 16 A E E - 0 0 97 11,-0.1 12,-2.8 1,-0.1 2,-0.3 -0.095 60.7-109.0 -60.9 149.6 -41.3 19.3 -6.6 13 17 A V E +A 23 0A 77 10,-0.3 10,-0.3 1,-0.2 -1,-0.1 -0.569 35.0 172.6 -69.2 126.7 -41.5 15.8 -5.1 14 18 A I E + 0 0 100 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.794 67.4 13.7 -96.9 -59.9 -39.1 13.4 -6.7 15 19 A G E -A 22 0A 28 7,-1.3 7,-3.4 2,-0.0 -1,-0.4 -0.862 63.2-171.4-122.1 148.8 -39.6 10.3 -4.5 16 20 A K + 0 0 176 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.410 9.4 163.3-119.8-159.0 -42.2 9.3 -1.8 17 21 A G - 0 0 42 -2,-0.2 -2,-0.0 1,-0.1 5,-0.0 -0.846 53.8 -77.8 152.1 167.2 -42.5 6.5 0.7 18 22 A A S S+ 0 0 90 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.807 125.5 15.4 -68.8 -30.7 -44.5 5.6 3.8 19 23 A F S S+ 0 0 61 -3,-0.1 21,-2.7 1,-0.1 2,-0.3 0.408 126.9 38.3-122.1 -5.3 -42.5 7.8 6.3 20 24 A S E - B 0 39A 35 19,-0.2 2,-0.3 24,-0.1 19,-0.2 -0.930 51.4-158.6-145.7 165.2 -40.6 10.1 4.0 21 25 A V E - B 0 38A 25 17,-1.9 17,-3.3 -2,-0.3 2,-0.5 -0.976 13.4-146.3-140.5 146.9 -40.6 12.2 0.8 22 26 A V E +AB 15 37A 44 -7,-3.4 -8,-3.2 -2,-0.3 -7,-1.3 -0.981 26.2 173.6-113.5 131.1 -37.6 13.4 -1.3 23 27 A R E -AB 13 36A 72 13,-2.5 13,-2.8 -2,-0.5 -10,-0.3 -0.941 35.2-110.2-132.5 153.2 -38.1 16.8 -3.0 24 28 A R E - B 0 35A 51 -12,-2.8 -13,-2.6 -2,-0.3 2,-0.3 -0.529 42.4-179.6 -70.7 148.9 -36.0 19.2 -5.0 25 29 A C E -AB 10 34A 0 9,-2.4 9,-2.5 -15,-0.2 2,-0.4 -0.961 17.9-138.6-146.3 165.6 -35.2 22.4 -3.1 26 30 A I E -AB 9 33A 32 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.5 -0.991 21.1-119.9-132.0 131.7 -33.3 25.6 -3.8 27 31 A N E > -A 8 0A 29 5,-3.1 4,-2.9 -2,-0.4 -19,-0.2 -0.587 25.9-146.2 -63.8 117.8 -31.0 27.6 -1.6 28 32 A R T 4 S+ 0 0 134 -21,-2.4 -1,-0.2 -2,-0.5 -20,-0.1 0.868 93.4 44.5 -55.0 -42.2 -32.8 31.0 -1.5 29 33 A E T 4 S+ 0 0 181 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.855 127.7 24.3 -72.6 -39.4 -29.5 33.0 -1.3 30 34 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.712 90.2-131.1-101.7 -24.8 -27.5 31.2 -4.0 31 35 A G < + 0 0 47 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.339 55.7 148.0 83.1 -6.9 -30.2 29.6 -6.2 32 36 A Q - 0 0 117 -5,-0.1 -5,-3.1 -6,-0.1 -1,-0.3 -0.365 44.3-125.4 -63.1 138.1 -28.3 26.3 -6.1 33 37 A Q E +B 26 0A 80 -7,-0.2 56,-0.5 -3,-0.1 2,-0.3 -0.618 32.7 167.8 -84.5 143.5 -30.4 23.1 -6.2 34 38 A F E -BC 25 88A 27 -9,-2.5 -9,-2.4 -2,-0.3 2,-0.4 -0.863 31.9-120.9-137.7 173.2 -30.4 20.3 -3.7 35 39 A A E -BC 24 87A 12 52,-2.7 52,-3.5 -2,-0.3 2,-0.4 -0.960 25.9-163.0-113.5 136.9 -32.5 17.2 -2.8 36 40 A V E -BC 23 86A 0 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.6 -0.987 9.1-153.2-122.5 134.2 -34.0 17.1 0.6 37 41 A K E -BC 22 85A 25 48,-2.8 48,-2.6 -2,-0.4 2,-0.5 -0.940 16.3-161.5-103.8 120.4 -35.4 13.9 2.2 38 42 A I E -BC 21 84A 9 -17,-3.3 -17,-1.9 -2,-0.6 2,-0.4 -0.913 3.5-164.4-111.0 124.2 -38.0 14.8 4.7 39 43 A V E -BC 20 83A 3 44,-2.5 44,-1.9 -2,-0.5 2,-1.0 -0.903 20.9-138.2-109.6 132.1 -39.1 12.2 7.4 40 44 A D E > - C 0 82A 67 -21,-2.7 4,-2.0 -2,-0.4 42,-0.2 -0.818 23.4-165.4 -81.6 104.9 -42.2 12.4 9.5 41 45 A V H > S+ 0 0 42 40,-1.9 4,-2.8 -2,-1.0 5,-0.2 0.905 81.2 51.4 -67.1 -44.4 -40.5 11.3 12.7 42 46 A A H > S+ 0 0 61 39,-0.6 4,-0.8 1,-0.2 -1,-0.2 0.932 114.3 42.9 -54.7 -51.6 -43.7 10.5 14.7 43 47 A K H 4 S+ 0 0 127 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.808 116.4 49.2 -69.3 -33.0 -45.1 8.2 11.9 44 48 A F H < S+ 0 0 28 -4,-2.0 6,-0.2 -25,-0.2 -2,-0.2 0.971 109.7 47.9 -66.3 -57.9 -41.7 6.6 11.3 45 49 A T H < S+ 0 0 48 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.601 110.9 61.4 -66.0 -12.3 -40.9 5.8 15.0 46 50 A S S X S+ 0 0 73 -4,-0.8 4,-0.5 -5,-0.2 -2,-0.1 0.661 77.9 82.6 -72.3-120.1 -44.4 4.4 15.2 47 51 A S T 4 S- 0 0 54 -4,-0.3 2,-0.4 2,-0.1 -3,-0.1 0.058 98.4 -66.4 54.4-172.7 -44.9 1.4 12.8 48 52 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.991 112.9 4.6-104.1 138.1 -43.7 -2.0 13.9 49 53 A G T 4 S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.2 -2,-0.1 0.303 100.2 105.7 88.9 -7.7 -40.0 -2.5 14.4 50 54 A L < + 0 0 56 -4,-0.5 2,-0.2 -6,-0.2 -1,-0.2 -0.768 38.4 158.8-108.2 154.0 -38.6 1.0 13.8 51 55 A S > - 0 0 52 -2,-0.3 4,-0.9 -3,-0.1 3,-0.4 -0.821 57.5 -76.1-151.1-173.7 -37.3 3.5 16.3 52 56 A T H > S+ 0 0 88 -2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.815 122.0 65.4 -60.9 -34.6 -35.2 6.7 16.9 53 57 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 96.4 53.8 -57.7 -41.9 -32.2 4.4 16.7 54 58 A D H > S+ 0 0 31 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.857 109.1 47.8 -65.3 -38.3 -32.8 3.6 13.0 55 59 A L H X S+ 0 0 14 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.885 112.1 49.5 -67.9 -41.9 -32.9 7.3 12.1 56 60 A K H X S+ 0 0 150 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.852 108.7 53.5 -68.9 -35.9 -29.7 8.0 14.0 57 61 A R H X S+ 0 0 52 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.948 109.9 47.4 -57.1 -53.2 -27.9 5.1 12.3 58 62 A E H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.901 114.9 44.7 -58.1 -47.0 -28.8 6.4 8.8 59 63 A A H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.910 113.9 51.1 -64.9 -44.9 -27.7 9.9 9.6 60 64 A S H X S+ 0 0 82 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.931 113.3 44.6 -53.3 -52.5 -24.5 8.6 11.3 61 65 A I H X S+ 0 0 12 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.931 114.2 48.3 -60.6 -46.9 -23.7 6.4 8.2 62 66 A C H < S+ 0 0 10 -4,-2.6 11,-0.6 1,-0.2 -1,-0.2 0.805 108.9 54.8 -70.7 -28.1 -24.5 9.2 5.7 63 67 A H H < S+ 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.891 112.4 42.2 -64.4 -42.3 -22.4 11.7 7.7 64 68 A M H < S+ 0 0 80 -4,-1.7 2,-0.9 -3,-0.2 -2,-0.2 0.821 97.1 83.1 -79.1 -31.4 -19.3 9.5 7.6 65 69 A L < + 0 0 2 -4,-1.9 2,-0.5 -5,-0.2 8,-0.4 -0.652 50.1 164.6 -85.6 105.4 -19.5 8.3 4.0 66 70 A K + 0 0 79 -2,-0.9 5,-0.1 6,-0.1 -3,-0.0 -0.965 14.2 145.1-120.4 112.8 -18.0 10.9 1.6 67 71 A H > - 0 0 45 -2,-0.5 3,-2.0 3,-0.4 5,-0.1 -0.998 56.7-124.4-150.0 143.9 -17.3 9.6 -1.9 68 72 A P T 3 S+ 0 0 87 0, 0.0 56,-0.1 0, 0.0 4,-0.1 0.675 117.2 44.4 -60.3 -17.1 -17.4 10.9 -5.4 69 73 A H T 3 S+ 0 0 24 86,-0.1 87,-3.2 54,-0.1 2,-0.4 0.126 100.7 80.8-115.6 22.5 -19.8 8.0 -6.3 70 74 A I B < S-e 156 0B 3 -3,-2.0 2,-0.6 85,-0.3 -3,-0.4 -0.988 89.3-110.9-124.9 134.0 -22.0 8.3 -3.2 71 75 A V - 0 0 19 85,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.548 45.1-127.9 -64.7 112.9 -24.8 10.9 -3.0 72 76 A E - 0 0 75 -2,-0.6 16,-2.0 -5,-0.1 2,-0.6 -0.437 6.2-138.6 -73.8 131.0 -23.5 13.2 -0.3 73 77 A L E -D 87 0A 10 -11,-0.6 14,-0.3 -8,-0.4 3,-0.1 -0.785 23.8-179.6 -80.1 124.8 -25.4 14.3 2.8 74 78 A L E - 0 0 67 12,-3.7 2,-0.3 -2,-0.6 13,-0.2 0.889 55.3 -21.7 -94.5 -48.7 -24.7 18.0 3.2 75 79 A E E -D 86 0A 72 11,-1.2 11,-3.0 2,-0.0 -1,-0.4 -0.973 52.7-139.0-158.8 162.1 -26.6 19.0 6.3 76 80 A T E -D 85 0A 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 10.6-166.5-130.5 143.9 -29.6 18.0 8.5 77 81 A Y E -D 84 0A 31 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.958 6.2-160.0-123.4 147.0 -32.3 20.1 10.2 78 82 A S E +D 83 0A 101 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.952 34.8 134.4-125.9 109.1 -34.7 19.0 12.9 79 83 A S + 0 0 13 3,-1.8 3,-0.1 -2,-0.4 -75,-0.1 -0.898 61.5 14.2-156.9 129.0 -37.9 21.2 13.2 80 84 A D S S- 0 0 125 -2,-0.3 3,-0.1 1,-0.2 -77,-0.0 0.453 124.8 -63.8 96.7 7.6 -41.6 20.4 13.6 81 85 A G S S+ 0 0 53 1,-0.4 -40,-1.9 -40,-0.1 -39,-0.6 0.587 117.2 121.3 75.1 14.2 -41.2 16.7 14.5 82 86 A M E -C 40 0A 67 -42,-0.2 -3,-1.8 -41,-0.1 2,-0.5 -0.864 56.0-151.2-110.1 146.4 -39.8 16.7 11.0 83 87 A L E -CD 39 78A 19 -44,-1.9 -44,-2.5 -2,-0.3 2,-0.6 -0.986 8.7-163.3-119.5 123.3 -36.2 15.7 9.9 84 88 A Y E -CD 38 77A 15 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.6 -0.939 3.4-170.9-111.1 115.7 -34.7 17.3 6.8 85 89 A M E -CD 37 76A 1 -48,-2.6 -48,-2.8 -2,-0.6 2,-0.6 -0.942 12.4-152.3-110.1 113.4 -31.7 15.6 5.3 86 90 A V E +CD 36 75A 0 -11,-3.0 -12,-3.7 -2,-0.6 -11,-1.2 -0.783 19.1 178.2 -94.1 118.2 -30.2 17.8 2.6 87 91 A F E -CD 35 73A 28 -52,-3.5 -52,-2.7 -2,-0.6 -14,-0.2 -0.772 38.2 -89.4-112.4 157.9 -28.3 15.9 -0.1 88 92 A E E -C 34 0A 34 -16,-2.0 2,-0.4 -2,-0.3 -54,-0.2 -0.303 53.5-105.7 -56.9 151.9 -26.5 16.9 -3.3 89 93 A F - 0 0 42 -56,-0.5 2,-0.7 -55,-0.1 -1,-0.1 -0.720 21.6-152.7 -91.0 130.5 -28.9 17.1 -6.3 90 94 A M - 0 0 17 -2,-0.4 56,-0.2 1,-0.1 57,-0.2 -0.928 6.2-167.0-102.1 111.7 -28.7 14.4 -8.9 91 95 A D + 0 0 76 55,-2.3 57,-0.3 -2,-0.7 2,-0.3 0.301 63.9 72.6 -86.9 9.2 -30.0 16.0 -12.1 92 96 A G S S- 0 0 9 53,-1.6 56,-0.1 55,-0.2 -2,-0.1 -0.768 79.0-118.8-117.3 164.2 -30.3 12.7 -13.9 93 97 A A - 0 0 25 -2,-0.3 52,-2.3 1,-0.2 -1,-0.1 -0.212 57.6 -60.1 -84.8-174.9 -32.8 9.8 -13.6 94 98 A D B > -F 144 0B 8 50,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.319 55.8-102.0 -70.0 158.3 -31.6 6.3 -12.7 95 99 A L H > S+ 0 0 2 48,-2.5 4,-2.3 45,-0.5 5,-0.1 0.800 119.5 50.5 -46.2 -43.7 -29.1 4.5 -14.9 96 100 A C H > S+ 0 0 0 47,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.877 111.7 45.1 -73.1 -40.7 -31.6 2.3 -16.6 97 101 A F H > S+ 0 0 38 -3,-0.4 4,-1.5 1,-0.2 3,-0.3 0.931 115.2 50.7 -62.5 -47.3 -34.0 5.2 -17.5 98 102 A E H X S+ 0 0 13 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.845 101.4 59.9 -62.0 -38.4 -31.0 7.2 -18.7 99 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.914 106.5 47.6 -56.1 -44.3 -29.5 4.5 -20.9 100 104 A V H X S+ 0 0 10 -4,-1.1 4,-2.7 -3,-0.3 -1,-0.2 0.890 111.1 51.5 -66.5 -40.0 -32.7 4.4 -23.0 101 105 A K H X S+ 0 0 93 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.948 110.3 49.4 -56.1 -52.8 -32.6 8.2 -23.2 102 106 A R H <>S+ 0 0 38 -4,-3.0 5,-2.1 1,-0.2 -2,-0.2 0.894 113.6 46.3 -52.3 -47.2 -29.0 8.1 -24.4 103 107 A A H ><5S+ 0 0 14 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.889 111.3 49.8 -66.0 -43.2 -29.9 5.5 -27.0 104 108 A D H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 103.4 62.8 -70.5 -20.2 -33.0 7.3 -28.3 105 109 A A T 3<5S- 0 0 68 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.476 126.8-100.0 -80.9 -2.7 -30.8 10.4 -28.6 106 110 A G T < 5S+ 0 0 69 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.521 79.7 131.2 97.3 9.0 -28.7 8.6 -31.2 107 111 A F < - 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0 0 4 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.159 19.1-120.4 -66.6 156.9 -19.1 -11.1 -24.7 243 247 A E H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.874 112.6 59.3 -62.5 -35.8 -17.9 -14.1 -22.8 244 248 A S H > S+ 0 0 25 34,-0.2 4,-1.9 2,-0.2 27,-0.2 0.883 106.3 46.6 -61.4 -43.2 -15.9 -11.8 -20.4 245 249 A A H > S+ 0 0 0 33,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 113.0 48.4 -65.5 -43.7 -19.0 -9.9 -19.4 246 250 A K H X S+ 0 0 31 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.862 107.8 56.6 -66.3 -35.7 -21.0 -13.2 -18.8 247 251 A D H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.947 108.8 46.0 -57.4 -48.5 -18.0 -14.5 -16.8 248 252 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 111.1 52.7 -59.9 -46.3 -18.3 -11.4 -14.5 249 253 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.943 109.4 49.6 -54.6 -50.0 -22.0 -11.9 -14.2 250 254 A R H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.3 48.2 -58.6 -41.1 -21.6 -15.5 -13.2 251 255 A R H >< S+ 0 0 116 -4,-2.0 10,-1.9 1,-0.2 3,-0.7 0.822 113.3 47.3 -69.6 -34.1 -19.0 -14.6 -10.5 252 256 A M H 3< S+ 0 0 0 -4,-2.1 -50,-0.3 1,-0.2 -2,-0.2 0.744 114.5 46.9 -77.2 -28.5 -21.2 -11.9 -9.0 253 257 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.010 79.6 146.3-102.9 26.3 -24.3 -14.1 -9.0 254 258 A M < - 0 0 73 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.458 48.2-137.9 -66.3 134.5 -22.4 -17.1 -7.4 255 259 A L S S+ 0 0 70 -2,-0.2 -70,-0.2 -27,-0.1 -1,-0.1 0.941 87.9 64.3 -64.7 -54.0 -24.8 -19.0 -5.1 256 260 A D S >> S- 0 0 88 1,-0.2 3,-1.8 -72,-0.1 4,-0.9 -0.639 75.7-149.3 -73.8 115.5 -22.4 -19.6 -2.2 257 261 A P T 34 S+ 0 0 41 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.764 96.4 61.3 -59.0 -26.8 -21.5 -16.1 -0.7 258 262 A A T 34 S+ 0 0 77 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.723 109.6 39.9 -71.5 -24.2 -18.1 -17.5 0.2 259 263 A E T <4 S+ 0 0 141 -3,-1.8 -1,-0.2 2,-0.1 -4,-0.1 0.444 91.4 112.7-102.2 -4.9 -17.2 -18.3 -3.4 260 264 A R S < S- 0 0 9 -4,-0.9 -8,-0.2 -3,-0.2 -9,-0.1 -0.391 80.1-100.1 -65.0 143.5 -18.8 -15.1 -4.8 261 265 A I - 0 0 14 -10,-1.9 2,-0.1 -13,-0.1 -1,-0.1 -0.364 38.7-127.7 -61.1 141.3 -16.3 -12.5 -6.2 262 266 A T > - 0 0 63 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.426 23.0-107.0 -84.0 171.0 -15.5 -9.7 -3.8 263 267 A V H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 123.6 50.1 -63.1 -41.4 -15.9 -6.0 -4.7 264 268 A Y H > S+ 0 0 92 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.907 112.2 46.5 -61.7 -43.4 -12.0 -5.8 -4.9 265 269 A E H >4 S+ 0 0 108 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.910 111.5 51.6 -68.2 -42.7 -11.8 -8.8 -7.1 266 270 A A H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 6,-0.3 0.942 105.3 54.4 -57.6 -50.0 -14.6 -7.6 -9.4 267 271 A L H 3< S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.747 109.6 51.4 -54.5 -23.3 -12.9 -4.2 -9.8 268 272 A N T << S+ 0 0 104 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.488 82.2 114.4 -91.6 -6.6 -9.9 -6.3 -10.9 269 273 A H S X> S- 0 0 15 -3,-2.3 4,-3.4 -4,-0.4 3,-1.8 -0.454 76.2-122.3 -68.7 137.0 -11.9 -8.4 -13.5 270 274 A P H 3> S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 8,-0.4 0.767 109.5 61.8 -54.6 -29.9 -10.6 -7.7 -17.0 271 275 A W H 34 S+ 0 0 0 -27,-0.2 8,-0.1 2,-0.2 -26,-0.1 0.804 120.7 24.6 -69.1 -27.1 -14.1 -6.5 -18.2 272 276 A L H X4 S+ 0 0 1 -3,-1.8 3,-0.8 -6,-0.3 -1,-0.2 0.830 126.6 46.8 -97.1 -47.6 -14.0 -3.7 -15.7 273 277 A K H 3< S+ 0 0 99 -4,-3.4 -2,-0.2 -7,-0.3 3,-0.1 0.871 130.7 21.0 -64.8 -42.2 -10.2 -3.2 -15.2 274 278 A E T >X S+ 0 0 87 -4,-1.9 4,-2.5 -5,-0.3 3,-1.1 -0.504 72.0 155.3-126.4 61.5 -9.4 -3.3 -18.9 275 279 A R H <> S+ 0 0 62 -3,-0.8 4,-1.9 1,-0.3 -1,-0.1 0.794 70.1 64.7 -61.7 -29.4 -12.8 -2.4 -20.6 276 280 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.834 115.1 29.8 -58.5 -36.1 -10.9 -1.0 -23.7 277 281 A R H <4 S+ 0 0 199 -3,-1.1 -2,-0.2 -7,-0.2 -1,-0.2 0.843 132.8 30.3 -92.3 -37.7 -9.6 -4.5 -24.5 278 282 A Y H < S+ 0 0 89 -4,-2.5 2,-0.5 -8,-0.4 -33,-0.2 0.698 97.0 80.9-106.4 -25.1 -12.4 -6.7 -23.0 279 283 A A S < S- 0 0 4 -4,-1.9 -167,-0.1 -5,-0.3 -169,-0.0 -0.752 79.9-120.6 -86.2 129.6 -15.8 -4.8 -23.2 280 284 A Y - 0 0 121 -2,-0.5 -168,-1.4 1,-0.1 -169,-0.3 -0.248 13.3-152.1 -64.3 155.6 -17.5 -5.0 -26.7 281 285 A K + 0 0 119 -170,-0.2 2,-0.2 -171,-0.1 -1,-0.1 0.311 53.6 117.1-115.5 5.8 -18.1 -1.6 -28.4 282 286 A I S S- 0 0 93 -42,-0.1 -171,-0.3 1,-0.1 -170,-0.1 -0.511 72.5-103.0 -79.8 143.8 -21.2 -2.5 -30.4 283 287 A H - 0 0 74 -2,-0.2 -173,-0.2 -173,-0.1 -1,-0.1 -0.338 27.6-146.5 -56.2 142.3 -24.6 -0.9 -30.0 284 288 A L > + 0 0 6 -175,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.665 29.4 163.3-115.1 73.3 -27.0 -3.2 -28.1 285 289 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.793 75.9 55.6 -68.7 -24.1 -30.4 -2.5 -29.6 286 290 A E H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.915 110.7 46.0 -69.2 -42.4 -32.0 -5.7 -28.2 287 291 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.938 110.8 51.8 -61.8 -50.2 -30.9 -4.7 -24.7 288 292 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 110.6 50.0 -52.8 -44.6 -32.2 -1.1 -25.2 289 293 A E H X S+ 0 0 81 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.887 111.9 45.6 -65.7 -39.3 -35.5 -2.4 -26.3 290 294 A Q H X S+ 0 0 43 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.915 112.1 52.6 -67.8 -41.4 -35.9 -4.8 -23.2 291 295 A L H X S+ 0 0 0 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.896 105.1 55.8 -57.5 -41.4 -34.7 -2.0 -21.0 292 296 A R H X S+ 0 0 81 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.900 112.8 41.1 -56.9 -43.5 -37.5 0.2 -22.5 293 297 A K H X S+ 0 0 95 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.894 113.7 53.0 -70.6 -43.3 -40.0 -2.5 -21.5 294 298 A F H X S+ 0 0 26 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.937 111.9 46.3 -53.3 -51.0 -38.4 -3.0 -18.1 295 299 A N H X S+ 0 0 12 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.861 109.8 52.3 -63.6 -41.6 -38.6 0.8 -17.5 296 300 A A H X S+ 0 0 54 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.881 110.4 49.2 -64.1 -37.8 -42.2 1.0 -18.6 297 301 A R H X S+ 0 0 172 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.921 110.2 51.7 -64.5 -44.4 -43.1 -1.8 -16.2 298 302 A R H X S+ 0 0 30 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.874 110.0 47.8 -58.2 -45.3 -41.3 -0.0 -13.4 299 303 A K H < S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.738 109.6 53.5 -72.7 -27.5 -43.1 3.2 -13.9 300 304 A L H < S+ 0 0 153 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.767 116.9 38.5 -72.6 -29.0 -46.5 1.5 -14.1 301 305 A K H < 0 0 184 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.1 0.915 360.0 360.0 -90.0 -51.5 -45.8 -0.2 -10.7 302 306 A G < 0 0 104 -4,-2.6 0, 0.0 -5,-0.1 0, 0.0 -0.117 360.0 360.0 -69.2 360.0 -44.0 2.5 -8.6