==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/TRANSPORT PROTEIN 21-JUN-11 3SJC . COMPND 2 MOLECULE: ATPASE GET3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.REITZ,K.WILD,I.SINNING . 1324 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1022 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.1 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 . 1 0.1 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 . 5 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 . 98 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 547 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 9 2 4 0 4 0 0 3 0 3 0 2 9 0 2 8 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 5 16 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 PARALLEL BRIDGES PER LADDER . 1 4 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 2 2 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 4 A T 0 0 197 0, 0.0 2,-0.6 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 133.7 42.5 -36.6 57.6 2 5 A V - 0 0 60 232,-0.5 236,-0.3 234,-0.1 234,-0.1 -0.580 360.0-104.3 -76.4 115.9 40.8 -33.3 56.7 3 6 A E - 0 0 100 -2,-0.6 2,-1.6 1,-0.2 -1,-0.1 0.010 28.6-128.7 -35.4 128.3 42.1 -30.3 58.6 4 7 A P S S+ 0 0 50 0, 0.0 236,-0.5 0, 0.0 2,-0.3 -0.335 77.0 58.4 -86.9 54.8 39.4 -29.4 61.3 5 8 A N S S- 0 0 0 -2,-1.6 257,-0.2 234,-0.2 3,-0.1 -0.894 86.1-101.9-160.4-168.8 39.2 -25.7 60.4 6 9 A L S > S+ 0 0 4 255,-2.7 4,-3.0 -2,-0.3 3,-0.3 0.031 74.5 115.6-117.7 22.9 38.5 -23.1 57.8 7 10 A H H > S+ 0 0 76 255,-0.4 4,-1.1 1,-0.2 -1,-0.1 0.928 73.3 56.4 -60.3 -49.1 42.0 -22.1 57.0 8 11 A S H 4 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.865 116.8 36.7 -44.9 -43.2 41.7 -23.3 53.4 9 12 A L H >4 S+ 0 0 12 -3,-0.3 3,-2.7 1,-0.2 -2,-0.2 0.921 108.9 59.5 -82.7 -47.6 38.7 -21.0 52.8 10 13 A I H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.634 115.8 39.7 -55.9 -13.7 39.8 -18.1 54.9 11 14 A T T 3< S+ 0 0 55 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.046 87.9 142.0-121.5 25.6 42.8 -18.0 52.5 12 15 A S < - 0 0 11 -3,-2.7 -3,-0.1 1,-0.1 154,-0.0 -0.222 34.1-169.8 -68.1 156.4 41.0 -18.7 49.3 13 16 A T S S+ 0 0 133 153,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.083 84.1 47.0-130.0 20.5 42.0 -17.1 46.0 14 17 A T S S+ 0 0 67 152,-0.2 2,-0.6 151,-0.1 152,-0.1 0.466 80.4 107.5-128.6 -13.3 39.1 -18.3 43.9 15 18 A H + 0 0 22 1,-0.2 153,-0.2 -6,-0.1 152,-0.2 -0.627 23.6 159.8 -90.0 119.6 36.0 -17.6 46.0 16 19 A K S S+ 0 0 106 151,-2.3 109,-2.9 -2,-0.6 2,-0.4 0.673 71.9 37.9-104.0 -25.0 33.7 -14.8 45.0 17 20 A W E +ab 125 168A 26 150,-2.0 152,-1.1 107,-0.2 2,-0.4 -0.990 56.6 178.6-131.4 130.3 30.7 -16.1 46.9 18 21 A I E -ab 126 169A 0 107,-2.2 109,-1.6 -2,-0.4 152,-0.2 -0.807 11.0-165.0-132.6 97.7 30.4 -17.7 50.3 19 22 A F E -ab 127 170A 7 150,-1.3 152,-2.4 -2,-0.4 2,-0.2 -0.348 2.1-162.5 -67.9 155.9 26.9 -18.6 51.6 20 23 A V E + b 0 171A 0 107,-1.4 109,-0.5 150,-0.2 152,-0.2 -0.602 19.2 167.9-148.5 84.6 26.5 -19.4 55.2 21 24 A G E + b 0 172A 0 150,-0.6 152,-2.1 -2,-0.2 2,-0.1 -0.231 14.0 135.2 -99.1 178.7 23.3 -21.3 56.2 22 25 A G - 0 0 15 108,-0.2 4,-0.2 150,-0.2 2,-0.2 -0.070 37.5-131.6 142.8 114.7 21.7 -23.1 59.1 23 26 A K + 0 0 81 157,-0.1 2,-0.1 150,-0.1 109,-0.1 -0.519 67.0 45.2 -83.1 153.3 18.3 -23.0 60.7 24 27 A G S S- 0 0 25 107,-0.3 2,-1.6 -2,-0.2 4,-0.3 -0.255 104.5 -55.2 106.5 166.6 18.0 -22.7 64.5 25 28 A G S S+ 0 0 32 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.1 -0.642 78.4 143.5 -79.1 88.7 19.5 -20.7 67.3 26 29 A V S S- 0 0 6 -2,-1.6 148,-0.2 -4,-0.2 178,-0.2 0.215 70.7-108.6-126.3 13.6 22.9 -21.8 66.2 27 30 A G S > S+ 0 0 35 146,-0.1 4,-1.2 -3,-0.1 3,-0.3 0.754 73.3 142.3 62.2 21.4 25.2 -18.8 66.8 28 31 A K H > + 0 0 18 -4,-0.3 4,-2.4 1,-0.2 3,-0.2 0.882 59.3 58.7 -61.3 -42.5 25.3 -18.6 63.1 29 32 A T H > S+ 0 0 38 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.857 107.3 48.6 -61.7 -33.6 25.2 -14.8 62.9 30 33 A T H > S+ 0 0 25 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.809 109.8 55.0 -71.5 -26.4 28.4 -14.8 65.0 31 34 A S H X S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.920 105.2 49.0 -71.6 -41.1 29.7 -17.4 62.5 32 35 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.947 113.3 49.1 -64.3 -42.3 29.2 -15.3 59.4 33 36 A C H X S+ 0 0 0 -4,-1.6 4,-3.6 -5,-0.2 5,-0.3 0.945 108.5 51.3 -62.5 -52.9 30.9 -12.4 61.1 34 37 A S H X S+ 0 0 0 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.956 112.0 47.4 -47.7 -59.1 33.9 -14.3 62.2 35 38 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.942 114.4 46.1 -48.5 -55.5 34.5 -15.7 58.8 36 39 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.944 114.9 48.4 -53.9 -49.8 34.1 -12.2 57.1 37 40 A I H X S+ 0 0 0 -4,-3.6 4,-0.7 -5,-0.2 -1,-0.2 0.921 112.7 48.0 -55.9 -46.9 36.3 -10.7 59.7 38 41 A Q H >X S+ 0 0 20 -4,-3.5 3,-1.3 -5,-0.3 4,-1.1 0.942 108.3 51.3 -66.9 -49.1 39.0 -13.4 59.3 39 42 A M H >X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.3 3,-1.1 0.928 108.0 55.3 -48.6 -47.5 39.2 -13.4 55.5 40 43 A A H 3< S+ 0 0 2 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.651 107.8 48.2 -67.2 -15.6 39.6 -9.6 55.6 41 44 A L H << S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.648 113.9 47.4 -90.9 -16.4 42.6 -9.9 58.0 42 45 A S H << S+ 0 0 49 -4,-1.1 -2,-0.2 -3,-1.1 -3,-0.1 0.506 124.0 28.7-103.2 -9.4 44.2 -12.6 55.7 43 46 A Q >< + 0 0 24 -4,-1.2 3,-1.5 -5,-0.2 -1,-0.2 -0.501 63.3 162.5-149.4 73.0 43.7 -10.7 52.4 44 47 A P T 3 S+ 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.874 75.1 66.7 -67.4 -33.9 43.8 -7.0 53.1 45 48 A N T 3 S+ 0 0 153 -3,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.259 95.9 77.3 -71.3 16.4 44.5 -6.3 49.4 46 49 A K S < S- 0 0 88 -3,-1.5 2,-0.7 -6,-0.1 -3,-0.1 -0.953 77.8-133.0-126.4 148.7 41.0 -7.7 48.9 47 50 A Q - 0 0 29 -2,-0.3 76,-2.1 74,-0.2 77,-0.6 -0.859 23.4-163.4-106.6 107.9 37.5 -6.1 49.5 48 51 A F E -cd 80 124A 0 31,-2.0 33,-2.4 -2,-0.7 2,-0.5 -0.723 5.9-164.5 -96.5 137.1 35.0 -8.2 51.3 49 52 A L E -cd 81 125A 0 75,-1.4 77,-2.9 -2,-0.4 2,-0.6 -0.964 0.6-168.0-119.3 123.9 31.2 -7.6 51.5 50 53 A L E -cd 82 126A 0 31,-2.5 33,-2.0 -2,-0.5 2,-0.3 -0.933 15.2-173.4-110.9 115.9 29.0 -9.3 54.1 51 54 A I E -cd 83 127A 5 75,-2.3 77,-2.0 -2,-0.6 2,-0.4 -0.812 12.7-166.3-115.5 155.2 25.3 -9.0 53.5 52 55 A S E -cd 84 128A 0 31,-1.9 33,-2.2 -2,-0.3 77,-0.1 -0.999 19.0-174.2-132.1 133.8 22.1 -9.9 55.3 53 56 A T + 0 0 38 75,-0.7 76,-0.1 -2,-0.4 -1,-0.1 0.406 53.7 124.9 -96.8 -1.3 18.5 -10.1 54.2 54 57 A D > - 0 0 10 74,-0.4 3,-1.4 1,-0.2 4,-0.2 -0.395 59.1-146.9 -57.8 120.5 17.6 -10.8 57.8 55 58 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 31,-0.1 0.372 90.0 68.1 -83.5 8.7 15.0 -8.1 58.4 56 59 A A T 3 S- 0 0 4 528,-0.0 529,-0.3 529,-0.0 530,-0.3 0.171 106.3-122.9-103.4 13.1 16.0 -7.5 62.1 57 60 A H <> + 0 0 24 -3,-1.4 4,-1.7 28,-0.1 3,-0.2 0.924 45.6 170.3 50.8 60.3 19.3 -6.1 60.9 58 61 A N H > S+ 0 0 9 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.889 70.1 66.3 -69.8 -44.8 21.4 -8.7 62.9 59 62 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 106.8 46.4 -46.4 -36.3 24.6 -7.7 61.3 60 63 A S H >>S+ 0 0 9 2,-0.2 4,-2.5 -3,-0.2 5,-1.3 0.959 110.0 49.9 -70.9 -52.0 24.0 -4.4 63.1 61 64 A D H <5S+ 0 0 22 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.935 112.7 50.6 -49.0 -47.5 23.1 -6.0 66.4 62 65 A A H <5S+ 0 0 7 -4,-3.5 188,-0.8 1,-0.2 -1,-0.2 0.924 115.8 37.3 -58.7 -54.7 26.3 -8.1 66.2 63 66 A F H <5S- 0 0 12 -4,-1.9 188,-0.6 -5,-0.3 -1,-0.2 0.737 102.0-130.1 -72.4 -20.0 28.7 -5.3 65.5 64 67 A G T <5S+ 0 0 66 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.874 78.3 100.7 69.0 39.5 26.9 -3.0 67.8 65 68 A E S - 0 0 1 6,-2.5 3,-2.0 1,-0.1 2,-1.0 -0.593 34.4-112.9 -73.1 124.8 32.9 -1.6 59.5 75 78 A T T 3 S+ 0 0 102 -2,-0.4 176,-0.1 1,-0.2 -1,-0.1 -0.403 108.2 40.0 -58.1 103.0 34.2 0.9 62.0 76 79 A G T 3 S+ 0 0 57 -2,-1.0 2,-0.3 1,-0.5 -1,-0.2 0.292 112.0 49.2 145.2 -0.3 37.5 -0.8 62.8 77 80 A M < - 0 0 32 -3,-2.0 -1,-0.5 3,-0.1 -36,-0.0 -0.972 61.3-140.9-160.6 157.1 38.6 -2.2 59.5 78 81 A N S S+ 0 0 119 -2,-0.3 3,-0.1 -38,-0.1 -5,-0.1 0.142 93.2 37.2-122.6 22.6 39.2 -1.1 55.9 79 82 A N S S+ 0 0 7 -5,-0.1 -31,-2.0 1,-0.1 2,-0.5 0.387 92.1 90.3-142.7 -5.2 38.1 -4.0 53.6 80 83 A L E -c 48 0A 0 -6,-0.2 -6,-2.5 -33,-0.2 2,-0.5 -0.842 50.9-177.6-101.7 122.8 35.0 -5.4 55.4 81 84 A S E -cE 49 73A 5 -33,-2.4 -31,-2.5 -2,-0.5 2,-0.3 -0.930 11.2-156.9-128.2 113.7 31.6 -4.0 54.5 82 85 A C E -cE 50 72A 0 -10,-1.1 -10,-1.5 -2,-0.5 2,-0.4 -0.619 10.0-173.9 -78.7 146.3 28.3 -4.9 56.0 83 86 A M E -c 51 0A 2 -33,-2.0 -31,-1.9 -2,-0.3 2,-0.5 -0.987 6.9-167.9-140.1 129.2 25.1 -4.4 54.1 84 87 A E E +c 52 0A 6 -16,-1.9 2,-0.3 -2,-0.4 -31,-0.2 -0.984 26.7 146.6-118.4 121.0 21.6 -4.9 55.6 85 88 A I - 0 0 8 -33,-2.2 -28,-0.1 -2,-0.5 -2,-0.0 -0.894 39.7-132.5-147.2 174.3 18.8 -4.9 53.0 86 89 A D > - 0 0 26 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.937 7.7-169.8-144.4 110.4 15.4 -6.4 52.3 87 90 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.884 86.6 59.8 -69.1 -45.0 14.5 -7.8 48.8 88 91 A S H 4 S+ 0 0 80 2,-0.2 3,-0.4 1,-0.2 -2,-0.0 0.954 109.3 43.0 -49.6 -58.8 10.8 -8.3 49.5 89 92 A A H 4 S+ 0 0 62 1,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.932 118.2 45.2 -51.3 -51.6 10.4 -4.6 50.3 90 93 A A H < 0 0 55 -4,-1.8 -1,-0.2 13,-0.0 -2,-0.2 0.751 360.0 360.0 -64.7 -25.2 12.5 -3.6 47.3 91 94 A L < 0 0 107 -4,-2.6 -3,-0.0 -3,-0.4 12,-0.0 -0.076 360.0 360.0 -79.9 360.0 10.7 -6.1 45.1 92 ! 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 93 131 A G 0 0 104 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 40.1 2.1 -16.7 39.5 94 132 A S + 0 0 93 4,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.048 360.0 146.5 -80.3 36.0 2.4 -19.2 42.4 95 133 A I > - 0 0 83 -2,-0.8 2,-0.8 1,-0.1 3,-0.8 -0.449 58.8-104.8 -69.6 145.2 5.2 -21.1 40.6 96 134 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.640 106.1 21.2 -74.9 107.3 7.9 -22.7 42.8 97 135 A G T 3> S+ 0 0 0 -2,-0.8 4,-2.7 42,-0.0 5,-0.2 -0.017 91.7 103.4 128.4 -27.6 11.0 -20.6 42.5 98 136 A I H <> S+ 0 0 46 -3,-0.8 4,-1.9 2,-0.2 3,-0.4 0.955 83.3 41.2 -48.1 -75.2 9.6 -17.3 41.3 99 137 A D H > S+ 0 0 111 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.887 116.3 51.7 -41.1 -54.3 9.7 -15.2 44.4 100 138 A E H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.878 111.8 45.3 -55.5 -48.1 13.1 -16.5 45.3 101 139 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -3,-0.4 5,-0.3 0.997 114.3 44.9 -58.5 -68.2 14.7 -15.8 42.0 102 140 A L H X S+ 0 0 61 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.880 116.4 51.9 -45.4 -44.4 13.3 -12.2 41.5 103 141 A S H >X S+ 0 0 18 -4,-2.9 4,-2.2 -5,-0.4 3,-0.8 0.989 114.4 36.4 -54.3 -76.4 14.3 -11.6 45.1 104 142 A F H 3X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.913 115.2 58.7 -43.0 -54.8 17.9 -12.8 45.1 105 143 A M H 3X S+ 0 0 24 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.3 0.899 104.7 49.9 -36.3 -54.6 18.2 -11.3 41.6 106 144 A E H X S+ 0 0 30 -4,-2.4 4,-2.7 2,-0.3 3,-1.5 0.945 112.0 51.8 -52.6 -57.0 22.6 -8.9 43.0 109 147 A K H 3X S+ 0 0 114 -4,-2.7 4,-1.8 1,-0.3 -1,-0.3 0.934 113.7 47.9 -39.9 -48.8 21.3 -6.0 40.9 110 148 A H H 3X S+ 0 0 23 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.3 0.664 106.9 54.5 -74.8 -18.2 21.5 -4.0 44.1 111 149 A I H X S+ 0 0 151 -4,-2.7 4,-3.0 2,-0.2 3,-0.9 0.849 106.2 56.4 -65.0 -35.5 26.4 -4.0 41.6 113 151 A R H 3X S+ 0 0 122 -4,-1.8 4,-0.9 -5,-0.3 5,-0.4 0.951 104.2 54.4 -57.8 -45.9 24.7 -0.7 42.1 114 152 A Q H 3< S+ 0 0 26 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.699 113.4 43.7 -59.7 -18.9 26.6 -0.5 45.3 115 153 A E H -H 133 0B 13 3,-0.5 3,-1.4 1,-0.1 -108,-0.2 -0.038 23.7-122.2 -59.2 153.3 17.9 -15.7 56.2 131 169 A P T 3 S+ 0 0 20 0, 0.0 -107,-0.3 0, 0.0 -1,-0.1 0.653 118.0 56.8 -68.1 -13.8 16.5 -16.7 59.5 132 170 A T T 3 S- 0 0 79 1,-0.4 -2,-0.1 -109,-0.1 -109,-0.1 -0.136 127.0 -87.4-103.3 34.8 13.7 -18.1 57.4 133 171 A G B < -H 130 0B 19 -3,-1.4 -3,-0.5 -4,-0.1 -1,-0.4 0.009 55.7 -56.9 85.6 165.8 16.0 -20.3 55.4 134 172 A H - 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0 0 68 -2,-0.9 -3,-0.2 -3,-0.2 -260,-0.1 0.040 34.6-104.1 -43.6 135.2 2.5 -24.2 87.0 546 338 B Y < - 0 0 33 -5,-0.8 -25,-0.1 -25,-0.5 -1,-0.1 0.019 35.1-172.7 -54.2 164.7 6.1 -24.8 88.0 547 339 B N > - 0 0 36 1,-0.1 4,-1.6 2,-0.0 5,-0.3 -0.589 13.6-162.0-169.6 103.3 7.7 -22.7 90.8 548 340 B P H > S+ 0 0 44 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.828 88.3 60.3 -62.2 -45.1 11.4 -22.9 91.6 549 341 B I H 4 S+ 0 0 92 2,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.949 128.3 13.2 -48.1 -56.0 11.2 -21.4 95.1 550 342 B T H >4 S+ 0 0 58 -3,-0.2 2,-1.1 1,-0.1 3,-1.1 0.952 128.8 47.8 -82.2 -76.4 9.0 -24.2 96.1 551 343 B D H >X S+ 0 0 31 -4,-1.6 4,-0.9 1,-0.3 3,-0.6 0.258 77.6 107.0 -59.3 15.2 9.0 -27.0 93.5 552 344 B G H 3X + 0 0 20 -2,-1.1 4,-0.9 -4,-0.9 -1,-0.3 0.816 68.3 67.0 -63.6 -28.1 12.8 -27.0 93.3 553 345 B K H <> S+ 0 0 180 -3,-1.1 4,-0.6 1,-0.2 3,-0.4 0.865 95.8 53.3 -61.9 -39.8 12.9 -30.3 95.2 554 346 B V H X> S+ 0 0 35 -3,-0.6 3,-1.0 1,-0.2 4,-0.9 0.861 98.4 62.0 -66.0 -38.0 11.3 -32.3 92.4 555 347 B I H 3X S+ 0 0 8 -4,-0.9 4,-0.8 1,-0.3 3,-0.4 0.828 98.4 56.2 -65.8 -29.3 13.6 -31.3 89.6 556 348 B Y H 3< S+ 0 0 167 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.798 97.6 66.3 -68.0 -26.4 16.6 -32.9 91.4 557 349 B E H << S+ 0 0 90 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.879 104.6 41.6 -61.0 -39.4 14.6 -36.1 91.4 558 350 B L H < S+ 0 0 14 -4,-0.9 2,-1.6 -3,-0.4 -1,-0.2 0.646 97.2 83.7 -82.6 -16.1 14.8 -36.3 87.6 559 351 B E < 0 0 41 -4,-0.8 -1,-0.2 1,-0.2 -32,-0.1 -0.559 360.0 360.0 -90.4 72.2 18.4 -35.2 87.6 560 352 B D 0 0 187 -2,-1.6 -1,-0.2 -34,-0.2 -2,-0.1 0.499 360.0 360.0-134.6 360.0 20.0 -38.7 88.2 561 !* 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 0.0 562 38 C L >> 0 0 115 0, 0.0 3,-3.3 0, 0.0 4,-1.7 0.000 360.0 360.0 360.0 -52.3 -11.4 8.2 49.0 563 39 C S H 3> + 0 0 60 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.716 360.0 69.3 -49.9 -18.8 -8.0 8.0 47.5 564 40 C K H 3> S+ 0 0 185 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.738 100.1 44.2 -76.2 -22.8 -7.3 10.7 50.0 565 41 C K H <> S+ 0 0 126 -3,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.885 110.0 56.1 -80.7 -46.8 -7.7 8.1 52.8 566 42 C Y H >X S+ 0 0 70 -4,-1.7 4,-1.9 1,-0.2 3,-0.7 0.951 109.4 45.0 -45.0 -61.2 -5.6 5.7 50.9 567 43 C L H 3X S+ 0 0 106 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.910 107.4 60.0 -52.4 -43.8 -2.7 8.1 50.7 568 44 C A H 3X S+ 0 0 62 -4,-0.9 4,-1.1 1,-0.2 -1,-0.3 0.884 107.0 48.0 -51.9 -40.3 -3.2 9.0 54.3 569 45 C K H XX S+ 0 0 32 -4,-2.0 4,-2.2 -3,-0.7 3,-0.7 0.967 103.5 56.7 -66.5 -56.4 -2.5 5.3 55.1 570 46 C V H 3X S+ 0 0 51 -4,-1.9 4,-3.5 1,-0.3 5,-0.4 0.854 102.9 55.9 -49.7 -42.4 0.7 4.7 53.1 571 47 C K H 3X S+ 0 0 139 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.965 109.3 48.7 -49.7 -49.9 2.4 7.6 54.9 572 48 C E H < S+ 0 0 93 -4,-1.8 3,-2.1 2,-0.2 -1,-0.2 0.979 112.0 44.7 -64.5 -54.7 10.8 3.7 62.5 580 56 C N H >< S+ 0 0 2 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.922 107.8 61.5 -56.9 -40.6 10.8 -0.0 63.1 581 57 C N H 3< S+ 0 0 56 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.700 103.6 51.0 -51.9 -21.9 13.8 -0.2 60.8 582 58 C S T << S+ 0 0 74 -3,-2.1 2,-0.3 -4,-0.5 -1,-0.3 0.250 95.1 85.5-109.3 12.4 15.7 2.0 63.1 583 59 C I S < S- 0 0 36 -3,-1.9 2,-1.3 -4,-0.2 3,-0.1 -0.794 86.6-104.5-113.6 152.4 15.2 0.2 66.4 584 60 C S >> - 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e 01196E 1 35,-2.2 37,-1.7 -3,-0.3 -1,-0.2 -0.541 29.1-158.9 -77.3 138.9 -2.0 -21.2 147.6 1161 275 F L - 0 0 10 -2,-0.2 3,-0.2 35,-0.2 -1,-0.1 0.796 1.4-166.7 -82.3 -34.2 0.7 -21.1 150.3 1162 276 F F - 0 0 35 1,-0.2 -2,-0.1 11,-0.1 -1,-0.1 0.633 24.6-167.3 52.0 12.3 -1.1 -18.9 152.9 1163 277 F A 0 0 18 1,-0.2 -1,-0.2 6,-0.1 -2,-0.1 0.065 360.0 360.0 -39.2 122.2 2.5 -18.8 154.4 1164 278 F E 0 0 206 -3,-0.2 -1,-0.2 57,-0.0 -2,-0.1 0.125 360.0 360.0-140.3 360.0 2.4 -17.4 157.9 1165 ! 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 1166 285 F C 0 0 55 0, 0.0 4,-0.1 0, 0.0 -279,-0.0 0.000 360.0 360.0 360.0-139.6 12.4 -21.6 154.1 1167 286 F K + 0 0 163 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.285 360.0 68.1-139.7 3.2 12.6 -18.2 152.3 1168 287 F R S > S+ 0 0 66 3,-0.1 4,-1.8 2,-0.1 -248,-0.2 0.656 100.3 50.9 -97.7 -21.5 11.4 -19.0 148.8 1169 288 F C H > S+ 0 0 12 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.933 103.6 55.2 -75.3 -51.9 7.9 -19.7 149.9 1170 289 F Q H 4 S+ 0 0 114 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.456 114.6 45.5 -65.9 2.7 7.4 -16.5 151.9 1171 290 F A H > S+ 0 0 33 -3,-0.2 4,-1.0 2,-0.1 3,-0.3 0.749 110.1 47.3-109.4 -48.9 8.4 -14.8 148.7 1172 291 F R H X S+ 0 0 59 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.862 107.8 62.8 -59.0 -35.7 6.3 -16.6 146.1 1173 292 F W H X S+ 0 0 36 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.900 91.5 62.7 -54.7 -44.8 3.4 -16.1 148.5 1174 293 F K H > S+ 0 0 160 -3,-0.3 4,-3.7 1,-0.2 -1,-0.2 0.927 106.2 44.9 -51.9 -49.5 3.5 -12.3 148.3 1175 294 F M H X S+ 0 0 45 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.954 112.0 52.1 -56.3 -54.3 2.7 -12.5 144.6 1176 295 F Q H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.949 114.5 42.8 -44.4 -58.7 -0.1 -15.1 145.2 1177 296 F K H X S+ 0 0 86 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.926 109.9 59.0 -56.1 -50.4 -1.6 -12.8 147.8 1178 297 F K H X S+ 0 0 55 -4,-3.7 4,-0.8 -5,-0.3 -1,-0.2 0.924 111.8 38.4 -38.3 -61.1 -1.0 -9.8 145.5 1179 298 F Y H X S+ 0 0 10 -4,-2.7 4,-2.4 -49,-0.3 -1,-0.2 0.733 108.0 64.7 -71.4 -22.7 -3.2 -11.4 142.8 1180 299 F L H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.961 98.3 54.9 -59.0 -47.9 -5.7 -12.7 145.3 1181 300 F D H X S+ 0 0 65 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.839 109.5 49.0 -55.0 -33.8 -6.4 -9.0 146.2 1182 301 F Q H >< S+ 0 0 32 -4,-0.8 3,-0.8 -5,-0.2 -1,-0.2 0.921 107.7 50.1 -73.2 -49.7 -7.2 -8.5 142.5 1183 302 F I H >X S+ 0 0 2 -4,-2.4 3,-2.5 1,-0.2 4,-1.5 0.913 103.2 64.9 -50.3 -45.6 -9.5 -11.5 142.0 1184 303 F D H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 108.5 36.5 -56.2 -33.5 -11.4 -10.4 145.1 1185 304 F E T << S+ 0 0 95 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.119 115.9 54.6-106.3 25.4 -12.5 -7.2 143.5 1186 305 F L T <4 S+ 0 0 2 -3,-2.5 -2,-0.2 80,-0.0 -1,-0.1 0.510 112.8 34.0-133.5 -14.3 -13.0 -8.5 140.0 1187 306 F Y >< + 0 0 10 -4,-1.5 3,-2.7 -5,-0.1 -2,-0.1 -0.214 65.0 148.5-135.9 44.2 -15.4 -11.5 140.5 1188 307 F E T 3 S+ 0 0 122 1,-0.3 4,-0.1 3,-0.1 -1,-0.1 0.873 75.5 52.2 -43.2 -45.6 -17.6 -10.3 143.4 1189 308 F D T 3 S+ 0 0 118 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.324 96.3 86.7 -84.3 7.3 -20.5 -12.2 142.0 1190 309 F F S < S- 0 0 26 -3,-2.7 2,-0.8 -235,-0.1 -36,-0.2 -0.816 78.8-124.8-103.1 145.1 -18.6 -15.5 141.8 1191 310 F H E -e 1154 0E 25 -38,-1.9 -36,-2.4 -2,-0.3 2,-0.6 -0.834 36.1-174.6 -75.8 115.6 -18.1 -18.2 144.4 1192 311 F V E -e 1155 0E 11 -2,-0.8 2,-0.4 -237,-0.4 -36,-0.2 -0.893 9.0-157.4-120.6 102.9 -14.3 -18.4 144.3 1193 312 F V E -e 1156 0E 0 -38,-1.3 -36,-2.5 -2,-0.6 2,-0.5 -0.616 6.2-148.4 -81.3 128.1 -13.0 -21.1 146.5 1194 313 F K E -e 1157 0E 57 -237,-0.5 25,-0.5 -2,-0.4 -36,-0.2 -0.846 17.6-162.0-102.5 130.5 -9.4 -20.7 147.6 1195 314 F M E - 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0 0 73 -2,-0.8 -3,-0.1 -3,-0.2 -260,-0.1 0.015 34.5-105.2 -46.3 133.8 -13.9 -23.3 152.9 1219 338 F Y < - 0 0 33 -5,-0.8 -25,-0.1 -25,-0.5 -1,-0.1 0.063 34.6-172.5 -51.9 165.8 -10.3 -23.9 153.9 1220 339 F N > - 0 0 58 1,-0.1 4,-1.8 -3,-0.1 5,-0.3 -0.579 13.7-161.7-170.4 104.5 -8.8 -21.8 156.7 1221 340 F P H > S+ 0 0 43 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.833 88.4 60.6 -62.6 -45.0 -5.1 -22.0 157.6 1222 341 F I H 4 S+ 0 0 160 2,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.943 128.4 13.0 -48.3 -54.7 -5.2 -20.5 161.1 1223 342 F T H >4 S+ 0 0 73 -3,-0.2 3,-1.1 1,-0.1 2,-0.7 0.946 128.9 47.7 -82.8 -75.5 -7.5 -23.3 162.1 1224 343 F D H >X S+ 0 0 31 -4,-1.8 4,-0.9 1,-0.3 3,-0.7 0.285 77.7 106.6 -60.8 13.2 -7.5 -26.1 159.5 1225 344 F G H 3X + 0 0 20 -4,-1.0 4,-0.9 -2,-0.7 -1,-0.3 0.795 68.4 67.5 -61.8 -26.9 -3.7 -26.1 159.3 1226 345 F K H <> S+ 0 0 180 -3,-1.1 4,-0.6 1,-0.2 3,-0.4 0.865 95.8 52.9 -62.5 -39.9 -3.6 -29.4 161.1 1227 346 F V H X> S+ 0 0 36 -3,-0.7 3,-1.1 1,-0.2 4,-1.0 0.870 98.3 62.4 -66.7 -38.1 -5.2 -31.4 158.4 1228 347 F I H 3X S+ 0 0 12 -4,-0.9 4,-0.8 1,-0.3 3,-0.4 0.827 98.4 55.9 -64.4 -29.8 -2.8 -30.4 155.6 1229 348 F Y H 3< S+ 0 0 167 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.799 97.8 66.3 -68.0 -26.4 0.1 -32.0 157.4 1230 349 F E H << S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.888 104.6 41.6 -60.7 -40.2 -1.9 -35.2 157.4 1231 350 F L H < S+ 0 0 14 -4,-1.0 2,-1.6 -3,-0.4 -1,-0.2 0.647 97.2 83.9 -81.8 -16.3 -1.6 -35.4 153.6 1232 351 F E < 0 0 40 -4,-0.8 -1,-0.2 1,-0.2 -32,-0.1 -0.556 360.0 360.0 -90.3 72.1 2.0 -34.3 153.6 1233 352 F D 0 0 187 -2,-1.6 -1,-0.2 -34,-0.2 -2,-0.1 0.497 360.0 360.0-134.8 360.0 3.5 -37.7 154.3 1234 !* 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 1235 38 G L >> 0 0 115 0, 0.0 3,-3.3 0, 0.0 4,-1.7 0.000 360.0 360.0 360.0 -52.6 -27.6 9.2 114.9 1236 39 G S H 3> + 0 0 61 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.717 360.0 69.4 -49.8 -19.0 -24.1 9.0 113.4 1237 40 G K H 3> S+ 0 0 184 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.731 100.1 44.1 -75.8 -22.7 -23.5 11.7 115.9 1238 41 G K H <> S+ 0 0 128 -3,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.880 110.1 56.0 -81.0 -46.5 -23.9 9.1 118.7 1239 42 G Y H >X S+ 0 0 69 -4,-1.7 4,-1.9 1,-0.2 3,-0.8 0.954 109.3 45.2 -45.7 -60.9 -21.7 6.6 116.8 1240 43 G L H 3X S+ 0 0 106 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.916 107.3 60.0 -51.8 -44.7 -18.9 9.1 116.6 1241 44 G A H 3X S+ 0 0 62 -4,-0.9 4,-1.1 1,-0.2 -1,-0.3 0.874 106.9 48.0 -51.6 -40.0 -19.4 9.9 120.3 1242 45 G K H XX S+ 0 0 32 -4,-2.0 4,-2.2 -3,-0.8 3,-0.6 0.965 103.3 56.9 -66.7 -56.2 -18.7 6.2 121.1 1243 46 G V H 3X S+ 0 0 51 -4,-1.9 4,-3.7 1,-0.3 5,-0.4 0.860 102.9 55.8 -49.7 -43.0 -15.5 5.7 119.0 1244 47 G K H 3X S+ 0 0 137 -4,-1.7 4,-3.7 2,-0.2 5,-0.3 0.966 109.4 48.7 -48.8 -50.6 -13.8 8.5 120.9 1245 48 G E H < S+ 0 0 95 -4,-2.0 3,-2.2 2,-0.2 -1,-0.2 0.980 112.2 44.9 -62.3 -55.9 -5.4 4.6 128.5 1253 56 G N H >< S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.924 107.6 61.9 -57.4 -40.5 -5.4 0.9 129.1 1254 57 G N H 3< S+ 0 0 63 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.737 103.4 50.3 -50.2 -24.4 -2.5 0.7 126.8 1255 58 G S T << S+ 0 0 72 -3,-2.2 2,-0.3 -4,-0.6 -1,-0.3 0.236 95.0 86.4-109.0 13.8 -0.5 2.9 129.1 1256 59 G I S < S- 0 0 35 -3,-1.9 2,-1.3 -4,-0.2 3,-0.1 -0.804 86.5-104.3-113.3 151.5 -1.1 1.1 132.4 1257 60 G S >> - 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