==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/METAL TRANSPORT 04-APR-13 4K1C . COMPND 2 MOLECULE: VACUOLAR CALCIUM ION TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.B.WAIGHT,B.P.PEDERSEN,R.M.STROUD,CENTER FOR STRUCTURES OF . 745 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 80.1 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 . 6 0.8 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 . 13 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 494 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 3.9 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 0 0 0 5 1 1 2 6 2 0 0 0 3 3 2 3 2 0 0 0 3 0 1 2 1 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 22 A T > 0 0 149 0, 0.0 4,-3.9 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -37.9 34.5 8.6 -45.6 2 23 A A T 4 + 0 0 95 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.715 360.0 38.2 -54.7 -23.4 36.9 9.1 -42.7 3 24 A W T > S+ 0 0 177 2,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.864 119.9 43.6 -90.7 -48.3 34.1 7.8 -40.4 4 25 A R H > S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.745 112.6 52.9 -72.8 -24.7 32.7 5.1 -42.7 5 26 A A H X S+ 0 0 38 -4,-3.9 4,-2.1 2,-0.2 -1,-0.2 0.819 105.9 54.5 -76.7 -32.3 36.1 3.8 -43.7 6 27 A A H > S+ 0 0 50 -5,-0.5 4,-1.4 -4,-0.3 -2,-0.2 0.830 106.7 52.4 -67.7 -33.0 37.1 3.5 -40.1 7 28 A V H X S+ 0 0 37 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.920 109.7 47.3 -67.7 -45.2 34.0 1.3 -39.6 8 29 A Y H X S+ 0 0 105 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.874 108.3 55.9 -63.6 -38.9 34.9 -1.0 -42.4 9 30 A D H X S+ 0 0 12 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.867 108.5 48.2 -60.1 -37.5 38.5 -1.2 -41.1 10 31 A L H X S+ 0 0 85 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.883 110.2 51.3 -69.5 -40.0 36.9 -2.4 -37.8 11 32 A Q H X S+ 0 0 81 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.894 106.8 54.8 -61.7 -41.3 34.8 -4.9 -39.6 12 33 A Y H X S+ 0 0 14 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.870 109.5 47.0 -61.3 -39.1 37.9 -6.2 -41.4 13 34 A I H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 3,-0.3 0.928 113.9 45.9 -69.2 -46.6 39.6 -6.9 -38.1 14 35 A L H >< S+ 0 0 44 -4,-2.2 3,-0.8 1,-0.2 6,-0.2 0.874 113.3 49.4 -64.6 -39.0 36.7 -8.6 -36.5 15 36 A K H 3< S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.673 107.9 54.6 -76.4 -17.2 36.0 -10.8 -39.6 16 37 A A T 3< S+ 0 0 15 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.495 93.6 87.9 -89.8 -6.3 39.7 -11.7 -39.7 17 38 A S X - 0 0 6 -3,-0.8 3,-0.7 -4,-0.4 39,-0.0 -0.852 69.3-151.5 -99.2 125.8 39.4 -12.9 -36.1 18 39 A P T 3 S+ 0 0 36 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.951 87.2 35.6 -60.7 -62.5 38.3 -16.6 -35.7 19 40 A L T > S+ 0 0 30 1,-0.2 3,-1.4 32,-0.2 4,-0.1 -0.300 70.4 137.7 -96.3 50.0 36.5 -16.7 -32.3 20 41 A N G X + 0 0 65 -2,-0.8 3,-1.7 -3,-0.7 -1,-0.2 0.681 57.5 76.1 -69.8 -17.9 34.9 -13.3 -32.4 21 42 A F G > S+ 0 0 130 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.666 82.8 67.5 -68.8 -15.5 31.6 -14.6 -31.0 22 43 A L G X S+ 0 0 24 -3,-1.4 3,-1.9 1,-0.2 -1,-0.3 0.446 72.1 92.2 -82.9 -0.2 33.2 -14.7 -27.6 23 44 A L G X + 0 0 46 -3,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.715 68.8 75.9 -64.2 -19.8 33.3 -10.9 -27.6 24 45 A V G <> S+ 0 0 40 -3,-0.9 4,-0.8 1,-0.3 -1,-0.3 0.710 88.1 59.6 -62.2 -20.0 29.9 -11.1 -25.9 25 46 A F H <> S+ 0 0 49 -3,-1.9 4,-3.1 1,-0.2 24,-0.3 0.548 85.2 79.8 -87.5 -8.8 31.8 -12.1 -22.8 26 47 A V H <> S+ 0 0 19 -3,-1.6 4,-2.7 2,-0.2 5,-0.2 0.960 98.5 38.3 -62.8 -52.0 33.7 -8.8 -22.8 27 48 A P H > S+ 0 0 52 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.937 118.7 50.4 -65.3 -40.2 30.9 -6.8 -21.2 28 49 A L H X S+ 0 0 5 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.899 111.9 47.8 -59.0 -43.6 30.1 -9.7 -19.0 29 50 A G H X S+ 0 0 0 -4,-3.1 4,-2.2 16,-0.4 5,-0.2 0.920 114.6 45.8 -62.4 -45.7 33.7 -10.0 -17.9 30 51 A L H X S+ 0 0 54 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.929 115.5 46.6 -63.4 -46.7 33.9 -6.2 -17.3 31 52 A I H X S+ 0 0 57 -4,-3.5 4,-2.6 2,-0.2 5,-0.3 0.964 114.6 45.5 -58.6 -56.0 30.6 -6.2 -15.4 32 53 A W H X>S+ 0 0 1 -4,-2.8 5,-1.7 1,-0.2 4,-0.7 0.879 117.7 44.2 -57.4 -43.0 31.5 -9.2 -13.2 33 54 A G H <5S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 115.7 44.4 -70.1 -47.8 35.0 -8.0 -12.5 34 55 A H H <5S+ 0 0 133 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.913 122.4 36.8 -65.7 -44.8 34.2 -4.3 -11.7 35 56 A F H <5S- 0 0 131 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.549 103.8-134.2 -85.1 -8.6 31.1 -5.1 -9.6 36 57 A Q T <5 + 0 0 156 -4,-0.7 -3,-0.2 -5,-0.3 3,-0.2 0.945 43.1 162.5 55.8 58.1 32.8 -8.1 -8.1 37 58 A L < - 0 0 36 -5,-1.7 2,-0.3 1,-0.3 -4,-0.1 0.988 61.6 -13.3 -74.3 -64.8 29.8 -10.4 -8.5 38 59 A S > - 0 0 37 -6,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.966 56.4-140.0-147.8 129.1 31.2 -14.0 -8.2 39 60 A H H > S+ 0 0 97 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.866 99.4 50.3 -58.2 -46.1 34.9 -15.0 -8.4 40 61 A T H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 116.5 40.7 -61.4 -46.6 34.5 -18.2 -10.5 41 62 A L H > S+ 0 0 61 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.822 110.9 57.8 -72.3 -31.5 32.4 -16.5 -13.2 42 63 A T H X S+ 0 0 6 -4,-2.5 4,-1.4 2,-0.2 5,-0.2 0.892 110.0 46.0 -63.2 -38.9 34.6 -13.4 -13.1 43 64 A F H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.968 117.0 43.1 -63.0 -53.9 37.4 -15.7 -13.9 44 65 A L H X S+ 0 0 72 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.895 112.2 50.7 -63.6 -46.1 35.5 -17.5 -16.7 45 66 A F H X S+ 0 0 15 -4,-3.3 4,-1.7 2,-0.2 -16,-0.4 0.912 116.7 40.1 -62.2 -45.1 33.9 -14.5 -18.3 46 67 A N H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.856 111.9 58.2 -71.6 -35.2 37.2 -12.6 -18.6 47 68 A F H X S+ 0 0 23 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.933 113.1 39.6 -53.3 -48.9 38.9 -15.8 -19.6 48 69 A L H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.805 112.5 58.6 -71.3 -30.8 36.5 -16.1 -22.5 49 70 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 -24,-0.3 -2,-0.2 0.857 101.4 51.5 -70.3 -38.3 36.7 -12.3 -23.1 50 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.830 94.1 75.4 -71.1 -30.9 40.5 -12.1 -23.8 51 72 A I H X S+ 0 0 7 -4,-0.8 4,-1.0 1,-0.2 224,-0.2 0.877 101.8 36.0 -51.1 -50.8 40.4 -14.9 -26.3 52 73 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 113.7 59.8 -72.0 -33.2 38.9 -12.9 -29.2 53 74 A L H X S+ 0 0 7 -4,-1.0 4,-3.2 1,-0.2 5,-0.2 0.844 98.8 58.2 -60.3 -35.9 40.8 -9.8 -28.2 54 75 A A H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.908 109.6 43.1 -60.4 -44.6 44.1 -11.7 -28.6 55 76 A A H X S+ 0 0 9 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.903 114.3 50.9 -67.3 -43.3 43.3 -12.3 -32.3 56 77 A I H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.923 113.5 45.0 -58.5 -46.6 42.0 -8.8 -32.7 57 78 A L H X S+ 0 0 3 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.838 110.4 55.5 -67.2 -34.4 45.2 -7.4 -31.2 58 79 A A H X S+ 0 0 40 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.929 109.3 45.4 -64.3 -46.4 47.3 -9.8 -33.3 59 80 A N H X S+ 0 0 33 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.781 114.1 49.9 -68.8 -28.4 45.7 -8.6 -36.6 60 81 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.894 112.0 47.6 -73.8 -42.6 46.1 -5.0 -35.4 61 82 A T H X S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.924 113.3 48.4 -61.8 -46.3 49.8 -5.6 -34.5 62 83 A E H X S+ 0 0 35 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.894 111.6 48.7 -62.8 -42.6 50.4 -7.3 -37.9 63 84 A E H X S+ 0 0 4 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.849 116.1 44.0 -68.1 -34.6 48.8 -4.6 -39.9 64 85 A L H < S+ 0 0 17 -4,-1.9 3,-0.4 1,-0.2 4,-0.3 0.892 111.4 53.2 -74.2 -41.6 50.8 -1.9 -38.0 65 86 A A H >X S+ 0 0 10 -4,-3.0 4,-0.7 1,-0.2 3,-0.6 0.791 99.9 63.1 -66.5 -29.7 54.0 -3.8 -38.2 66 87 A D H 3< S+ 0 0 94 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.894 113.0 33.5 -61.8 -41.3 53.8 -4.2 -42.0 67 88 A K T 3< S+ 0 0 87 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.332 105.0 77.0 -96.9 5.8 54.0 -0.5 -42.5 68 89 A A T <4 S- 0 0 34 -3,-0.6 4,-0.4 -4,-0.3 -1,-0.2 0.676 99.9-121.5 -87.4 -20.0 56.3 0.0 -39.6 69 90 A G X - 0 0 41 -4,-0.7 4,-2.1 -3,-0.4 -1,-0.2 -0.232 32.8 -64.6 97.0 169.7 59.3 -1.2 -41.4 70 91 A N H > S+ 0 0 74 2,-0.2 4,-1.5 3,-0.2 5,-0.2 0.949 126.5 38.4 -59.1 -60.2 61.8 -4.1 -40.7 71 92 A T H > S+ 0 0 112 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.947 124.0 37.8 -60.4 -55.3 63.4 -3.0 -37.4 72 93 A I H > S+ 0 0 90 -4,-0.4 4,-1.7 1,-0.2 3,-0.3 0.875 110.8 61.4 -66.7 -38.3 60.4 -1.5 -35.7 73 94 A G H X S+ 0 0 5 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.840 103.5 49.9 -57.4 -36.6 58.0 -4.2 -37.1 74 95 A G H X S+ 0 0 5 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.825 107.8 53.1 -72.3 -32.6 60.0 -6.9 -35.3 75 96 A L H X S+ 0 0 104 -4,-1.1 4,-1.5 -3,-0.3 -2,-0.2 0.795 105.9 54.8 -71.7 -28.7 59.9 -5.0 -32.0 76 97 A L H X>S+ 0 0 26 -4,-1.7 5,-1.2 2,-0.2 4,-1.1 0.835 108.4 47.7 -72.4 -34.1 56.1 -4.7 -32.3 77 98 A N H <5S+ 0 0 73 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.772 110.3 52.3 -77.0 -27.9 55.8 -8.5 -32.7 78 99 A A H <5S+ 0 0 4 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.850 124.6 28.4 -69.7 -35.5 58.1 -8.9 -29.7 79 100 A T H ><5S+ 0 0 56 -4,-1.5 3,-1.4 -5,-0.1 7,-0.2 0.922 135.6 19.4 -89.3 -82.2 55.8 -6.6 -27.8 80 101 A F G ><5S+ 0 0 46 -4,-1.1 3,-0.6 1,-0.3 4,-0.3 0.650 116.9 67.9 -71.0 -15.8 52.2 -6.6 -28.9 81 102 A G G 3 S+ 0 0 4 -3,-1.4 4,-2.8 1,-0.1 -1,-0.2 0.072 86.9 124.0-119.3 21.0 53.0 -11.4 -27.2 83 104 A A H <> + 0 0 6 -3,-0.6 4,-4.3 1,-0.2 5,-0.3 0.868 69.6 52.2 -54.1 -48.2 50.8 -8.9 -25.4 84 105 A V H > S+ 0 0 9 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.944 115.2 40.7 -56.8 -52.9 48.4 -11.4 -23.8 85 106 A E H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 120.4 47.3 -60.4 -41.1 51.2 -13.5 -22.3 86 107 A L H X S+ 0 0 15 -4,-2.8 4,-2.8 -7,-0.2 5,-0.2 0.967 113.9 43.8 -64.5 -56.3 53.0 -10.3 -21.3 87 108 A I H X S+ 0 0 24 -4,-4.3 4,-2.5 1,-0.2 5,-0.2 0.925 116.5 46.1 -57.8 -50.6 50.1 -8.4 -19.8 88 109 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.907 116.0 45.5 -60.3 -44.0 48.7 -11.4 -17.8 89 110 A S H X S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.888 112.8 49.7 -70.0 -40.3 52.2 -12.4 -16.5 90 111 A I H X S+ 0 0 53 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.936 113.2 46.1 -62.9 -47.9 53.2 -8.8 -15.6 91 112 A I H < S+ 0 0 18 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.907 113.9 49.8 -59.7 -42.6 49.9 -8.2 -13.7 92 113 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.7 -5,-0.2 3,-1.1 0.894 109.9 50.4 -64.2 -41.6 50.4 -11.6 -12.0 93 114 A L H ><5S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.886 103.5 59.0 -62.0 -39.9 53.9 -10.8 -11.0 94 115 A K T 3<5S+ 0 0 148 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.554 108.8 46.6 -68.8 -6.2 52.7 -7.5 -9.6 95 116 A K T < 5S- 0 0 92 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.183 121.3-107.8-116.9 12.1 50.5 -9.6 -7.3 96 117 A G T < 5 + 0 0 47 -3,-2.0 2,-2.1 1,-0.2 3,-0.3 0.575 69.5 145.8 77.1 11.0 53.3 -12.0 -6.3 97 118 A Q >< + 0 0 14 -5,-2.7 4,-1.8 1,-0.2 -1,-0.2 -0.398 8.2 149.9 -81.1 64.5 51.9 -14.9 -8.4 98 119 A V H > S+ 0 0 25 -2,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.920 70.4 52.4 -61.7 -46.7 55.2 -16.3 -9.4 99 120 A R H > S+ 0 0 63 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.862 108.0 52.6 -58.9 -38.5 53.9 -19.9 -9.6 100 121 A I H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 111.8 44.9 -64.2 -45.0 51.1 -18.8 -11.9 101 122 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 113.8 49.7 -66.0 -45.0 53.6 -17.1 -14.3 102 123 A Q H X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.921 114.6 44.5 -58.5 -46.2 56.0 -20.0 -14.2 103 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.862 111.6 53.0 -68.5 -37.0 53.2 -22.5 -14.9 104 125 A S H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.867 109.1 49.0 -69.0 -37.9 51.6 -20.3 -17.7 105 126 A M H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.957 117.3 40.1 -63.9 -51.8 54.9 -20.0 -19.5 106 127 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.889 115.6 52.7 -65.1 -40.4 55.6 -23.7 -19.4 107 128 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.853 103.7 56.4 -63.6 -37.1 51.9 -24.5 -20.1 108 129 A S H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.911 110.0 46.2 -61.5 -41.9 51.9 -22.2 -23.2 109 130 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 111.0 52.1 -63.1 -48.2 54.8 -24.3 -24.5 110 131 A L H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.9 0.885 109.9 49.2 -55.6 -43.0 53.0 -27.6 -23.6 111 132 A S H <>S+ 0 0 1 -4,-2.6 5,-2.5 1,-0.2 6,-0.4 0.875 114.6 44.1 -66.5 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42.9 -58.4 -48.7 0.9 -19.7 -36.9 636 288 B F H >>S+ 0 0 29 2,-0.2 4,-3.2 107,-0.2 5,-0.9 0.946 117.7 44.2 -63.9 -51.0 -2.1 -21.1 -35.1 637 289 B I H X>S+ 0 0 3 -4,-2.5 5,-2.9 1,-0.2 4,-0.5 0.902 117.6 46.8 -61.7 -41.9 -0.5 -24.5 -34.3 638 290 B G H <5S+ 0 0 0 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.7 38.4 -63.9 -44.5 2.7 -22.8 -33.3 639 291 B L H <5S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.887 133.1 17.3 -78.2 -41.3 0.9 -20.2 -31.1 640 292 B I H <5S+ 0 0 22 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.845 128.8 37.2-102.0 -42.9 -1.9 -22.2 -29.5 641 293 B V T ><>> S+ 0 0 8 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.739 91.8 72.5 -58.9 -20.3 3.1 -24.3 -26.1 644 296 B I H <> S+ 0 0 63 -3,-1.3 4,-2.3 -4,-0.3 3,-0.4 0.872 88.8 58.2 -61.4 -39.0 0.8 -26.8 -24.4 645 297 B V H <4 S+ 0 0 4 -3,-1.3 -215,-0.2 -4,-0.5 -1,-0.2 0.787 115.2 35.5 -64.8 -27.1 3.4 -29.6 -24.4 646 298 B G H << S+ 0 0 8 -3,-0.7 -1,-0.2 -4,-0.5 4,-0.2 0.548 125.9 36.9-103.7 -10.2 5.9 -27.6 -22.4 647 299 B N H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.4 5,-0.2 0.601 89.7 85.6-116.3 -18.2 3.5 -25.7 -20.1 648 300 B A H X S+ 0 0 18 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.874 94.0 46.4 -56.7 -42.9 0.7 -28.1 -19.3 649 301 B A H > S+ 0 0 10 -222,-0.2 4,-2.0 -5,-0.2 -1,-0.2 0.942 114.8 45.6 -65.6 -49.5 2.6 -29.7 -16.4 650 302 B E H > S+ 0 0 57 1,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.812 111.4 55.2 -63.0 -31.5 3.6 -26.3 -14.9 651 303 B H H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.897 105.6 49.6 -70.0 -41.9 0.1 -25.0 -15.4 652 304 B V H X S+ 0 0 43 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.921 112.8 49.9 -60.0 -43.4 -1.5 -27.9 -13.4 653 305 B T H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 110.9 48.2 -56.9 -53.0 1.1 -27.1 -10.7 654 306 B S H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 113.0 47.4 -56.3 -48.0 0.2 -23.4 -10.7 655 307 B V H X S+ 0 0 21 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.923 111.3 50.2 -62.0 -46.3 -3.5 -24.0 -10.5 656 308 B L H X S+ 0 0 36 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.871 113.3 46.5 -61.2 -38.7 -3.2 -26.6 -7.7 657 309 B V H ><>S+ 0 0 0 -4,-2.3 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341 B G H <>S+ 0 0 0 -4,-2.4 5,-3.9 1,-0.2 -2,-0.2 0.819 105.9 55.1 -63.0 -32.2 19.8 -20.3 -36.1 690 342 B W H ><5S+ 0 0 128 -4,-1.3 3,-0.6 3,-0.2 -1,-0.2 0.886 109.7 47.0 -66.8 -39.1 22.9 -18.2 -36.6 691 343 B M H 3<5S+ 0 0 140 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.6 39.3 -69.9 -45.5 25.1 -21.2 -36.0 692 344 B I T 3<5S- 0 0 76 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.209 115.5-111.7 -93.1 15.0 23.2 -23.7 -38.2 693 345 B D T < 5 + 0 0 146 -3,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.886 69.6 140.7 58.9 45.2 22.6 -21.0 -40.9 694 346 B V < - 0 0 21 -5,-3.9 2,-3.1 -6,-0.1 -1,-0.2 -0.983 58.2-123.9-120.9 125.4 18.9 -20.7 -40.4 695 347 B P + 0 0 83 0, 0.0 2,-0.5 0, 0.0 -9,-0.1 -0.271 45.7 162.3 -69.3 61.3 17.2 -17.3 -40.6 696 348 B M + 0 0 0 -2,-3.1 2,-0.2 -10,-0.2 -6,-0.1 -0.725 15.9 168.9 -80.4 124.8 15.5 -17.4 -37.2 697 349 B T - 0 0 17 -2,-0.5 -152,-0.1 -223,-0.1 -151,-0.0 -0.737 51.9-116.0-130.3 175.9 14.5 -13.9 -36.2 698 350 B L S S+ 0 0 0 -154,-0.3 2,-1.7 -2,-0.2 -166,-0.2 0.003 72.8 126.6 -98.0 25.2 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748 400 B D 0 0 157 -117,-0.1 -113,-0.1 -3,-0.1 -116,-0.0 0.987 360.0 360.0 -66.5 360.0 -2.0 -18.7 -44.0