==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 27-JAN-13 3W5D . COMPND 2 MOLECULE: SERCA1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.TOYOSHIMA,S.IWASAWA,H.OGAWA,A.HIRATA,J.TSUEDA,G.INESI . 994 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 3 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 . 58 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 3 2 5 2 1 2 4 3 1 1 0 0 3 1 0 2 1 0 0 1 0 1 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 5 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 PARALLEL BRIDGES PER LADDER . 2 4 3 2 3 3 2 1 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 0 1 0 1 0 0 1 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 A M > 0 0 20 0, 0.0 3,-1.2 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 89.4 64.9 -12.2 130.3 2 2 A E T 3 + 0 0 144 1,-0.2 3,-0.3 2,-0.1 223,-0.1 0.777 360.0 50.9 -64.9 -30.4 61.2 -12.8 129.7 3 3 A A T >> + 0 0 41 1,-0.2 3,-2.5 2,-0.1 4,-0.5 0.286 68.2 127.5 -95.3 12.5 60.2 -12.8 133.4 4 4 A A G X4 + 0 0 2 -3,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.721 65.8 62.3 -38.5 -40.8 61.9 -9.5 134.5 5 5 A H G 34 S+ 0 0 5 -3,-0.3 189,-3.6 1,-0.3 -1,-0.3 0.797 104.6 46.9 -58.5 -36.1 58.8 -8.1 136.1 6 6 A S G <4 S+ 0 0 28 -3,-2.5 2,-0.3 187,-0.2 -1,-0.3 0.444 102.8 82.2 -87.4 -4.2 58.6 -10.8 138.7 7 7 A K S << S- 0 0 79 -3,-1.2 187,-0.2 -4,-0.5 2,-0.1 -0.707 84.5-111.2 -97.2 156.3 62.4 -10.5 139.4 8 8 A S > - 0 0 22 -2,-0.3 4,-1.8 185,-0.1 5,-0.2 -0.402 32.3-108.9 -74.2 162.9 64.0 -7.9 141.8 9 9 A T H > S+ 0 0 29 182,-0.2 4,-1.8 1,-0.2 5,-0.1 0.815 121.5 54.1 -63.6 -33.6 66.1 -5.1 140.3 10 10 A E H > S+ 0 0 133 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.903 105.3 52.3 -67.8 -43.1 69.2 -6.9 141.8 11 11 A E H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.897 109.2 49.9 -60.2 -39.7 68.3 -10.2 140.1 12 12 A C H X S+ 0 0 1 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.896 113.3 46.0 -68.6 -38.5 68.0 -8.5 136.7 13 13 A L H X>S+ 0 0 27 -4,-1.8 5,-1.8 2,-0.2 4,-0.9 0.929 115.1 47.4 -65.5 -43.9 71.4 -6.9 137.2 14 14 A A H ><5S+ 0 0 76 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.956 107.5 56.9 -60.3 -50.8 72.9 -10.2 138.4 15 15 A Y H 3<5S+ 0 0 138 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 116.1 34.6 -50.5 -41.9 71.4 -12.1 135.5 16 16 A F H 3<5S- 0 0 14 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.546 102.2-129.5 -94.4 -2.9 73.1 -9.9 132.9 17 17 A G T <<5 + 0 0 52 -3,-1.3 2,-0.3 -4,-0.9 -3,-0.2 0.909 59.4 143.1 53.7 47.5 76.3 -9.3 134.9 18 18 A V < - 0 0 14 -5,-1.8 2,-0.6 -6,-0.1 -1,-0.2 -0.862 51.6-125.7-120.4 149.3 75.9 -5.6 134.3 19 19 A S >> - 0 0 43 4,-0.5 4,-3.7 -2,-0.3 3,-0.6 -0.865 8.7-147.0 -98.1 123.7 76.7 -2.6 136.6 20 20 A E T 34 S+ 0 0 66 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.736 100.6 45.6 -58.4 -23.4 73.8 -0.1 137.1 21 21 A T T 34 S+ 0 0 125 2,-0.1 -1,-0.2 1,-0.1 110,-0.1 0.686 128.5 21.3 -97.2 -20.0 76.4 2.7 137.4 22 22 A T T <4 S- 0 0 61 -3,-0.6 112,-0.3 108,-0.1 -2,-0.2 0.600 93.0-153.6-116.2 -21.5 78.7 1.9 134.4 23 23 A G < - 0 0 1 -4,-3.7 -4,-0.5 108,-0.2 108,-0.2 -0.154 47.0 -14.7 70.2-170.5 76.4 -0.3 132.2 24 24 A L B -a 131 0A 0 106,-0.6 108,-2.5 -6,-0.1 109,-0.4 -0.232 66.7-126.5 -64.6 151.3 77.5 -2.9 129.7 25 25 A T > - 0 0 53 106,-0.2 4,-3.0 107,-0.2 5,-0.2 -0.535 30.3-102.2 -91.9 165.0 81.2 -3.1 128.6 26 26 A P H > S+ 0 0 88 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.757 124.8 51.0 -60.9 -20.9 82.2 -3.1 125.0 27 27 A D H > S+ 0 0 82 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.874 110.4 47.4 -79.4 -41.5 82.8 -6.9 125.2 28 28 A Q H > S+ 0 0 21 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.954 109.7 54.7 -60.3 -49.4 79.3 -7.5 126.7 29 29 A V H X S+ 0 0 26 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.906 112.3 43.8 -48.8 -49.6 77.8 -5.2 124.0 30 30 A K H X S+ 0 0 117 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.966 117.1 43.6 -62.0 -56.0 79.4 -7.4 121.3 31 31 A R H X S+ 0 0 119 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.915 114.9 49.3 -57.0 -48.2 78.6 -10.8 122.9 32 32 A H H X S+ 0 0 18 -4,-3.4 4,-3.1 1,-0.2 5,-0.3 0.889 110.8 50.8 -58.2 -43.8 75.0 -9.7 123.7 33 33 A L H X S+ 0 0 47 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.795 110.5 49.4 -63.9 -31.1 74.5 -8.4 120.2 34 34 A E H < S+ 0 0 153 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.855 116.7 42.0 -77.2 -36.1 75.7 -11.7 118.8 35 35 A K H < S+ 0 0 150 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.890 128.5 24.8 -78.2 -44.4 73.4 -13.7 121.0 36 36 A Y H < S- 0 0 79 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.591 97.2-136.9-102.4 -12.8 70.2 -11.7 120.8 37 37 A G < - 0 0 31 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.190 45.0 -37.5 80.2 179.1 70.5 -9.9 117.4 38 38 A H - 0 0 69 1,-0.1 2,-1.4 2,-0.1 106,-0.2 -0.312 65.4-100.4 -72.9 161.7 69.7 -6.2 116.8 39 39 A N S S+ 0 0 13 104,-2.4 2,-0.3 106,-0.2 106,-0.2 -0.653 83.7 91.0 -88.8 85.0 66.8 -4.5 118.4 40 40 A E S S- 0 0 70 -2,-1.4 188,-0.3 103,-0.1 3,-0.1 -0.866 76.0-102.9-177.4 138.2 64.2 -4.6 115.6 41 41 A L - 0 0 8 -2,-0.3 186,-0.1 186,-0.2 192,-0.0 -0.331 58.5 -93.6 -58.7 145.2 61.4 -6.5 114.0 42 42 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.224 44.4 -96.7 -67.5 158.3 62.5 -8.3 110.8 43 43 A A - 0 0 77 1,-0.1 3,-0.1 -3,-0.1 74,-0.0 -0.397 38.1-105.6 -70.7 146.5 62.2 -6.8 107.4 44 44 A E - 0 0 106 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.314 56.9 -73.4 -60.4 155.5 59.2 -7.5 105.1 45 45 A E - 0 0 170 1,-0.1 2,-2.2 -2,-0.0 -1,-0.1 -0.213 43.3-114.2 -56.2 141.5 60.0 -9.8 102.1 46 46 A G + 0 0 73 -3,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.276 44.0 177.0 -76.7 53.9 62.0 -8.4 99.3 47 47 A K - 0 0 90 -2,-2.2 2,-0.1 4,-0.1 -3,-0.0 -0.469 17.1-154.6 -63.3 104.4 59.2 -8.6 96.8 48 48 A S > - 0 0 52 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.456 25.1-116.7 -87.0 154.8 60.7 -7.0 93.6 49 49 A L H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 117.5 53.2 -50.5 -47.6 58.9 -5.3 90.7 50 50 A W H > S+ 0 0 186 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.888 111.8 44.8 -57.2 -43.6 60.2 -8.0 88.4 51 51 A E H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 111.9 53.5 -67.2 -36.5 58.8 -10.7 90.6 52 52 A L H X S+ 0 0 16 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.908 107.8 49.4 -65.1 -44.0 55.6 -8.7 90.9 53 53 A V H >< S+ 0 0 48 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.870 109.0 54.1 -60.6 -39.2 55.3 -8.5 87.1 54 54 A I H >< S+ 0 0 77 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.880 101.1 58.9 -62.4 -39.5 55.8 -12.3 87.0 55 55 A E H >< S+ 0 0 73 -4,-1.7 3,-1.2 1,-0.3 4,-0.4 0.707 92.5 68.3 -64.4 -22.8 53.0 -12.9 89.4 56 56 A Q T << S+ 0 0 34 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.488 100.9 48.9 -75.1 -5.3 50.6 -11.2 87.0 57 57 A F T < S+ 0 0 56 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 -0.012 86.8 88.7-121.7 25.8 51.1 -14.1 84.6 58 58 A E < + 0 0 109 -3,-1.2 -2,-0.1 4,-0.0 -3,-0.1 0.831 58.5 98.3 -93.8 -38.0 50.5 -17.0 87.1 59 59 A D S > S- 0 0 76 -4,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.200 78.7-124.7 -52.9 138.2 46.7 -17.4 86.9 60 60 A L H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.864 107.4 51.4 -56.1 -39.6 45.7 -20.3 84.6 61 61 A L H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 107.0 51.3 -71.2 -36.1 43.4 -18.1 82.4 62 62 A V H > S+ 0 0 18 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.803 109.1 53.4 -71.0 -27.4 46.1 -15.4 81.7 63 63 A R H X S+ 0 0 135 -4,-1.6 4,-3.6 2,-0.2 -2,-0.2 0.954 107.6 49.9 -64.6 -53.3 48.4 -18.2 80.7 64 64 A I H X S+ 0 0 32 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.930 112.8 47.4 -48.7 -50.9 45.9 -19.5 78.2 65 65 A L H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 111.8 49.2 -63.3 -41.9 45.5 -16.0 76.8 66 66 A L H X S+ 0 0 70 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.964 112.4 48.6 -60.2 -50.3 49.3 -15.5 76.6 67 67 A L H >X S+ 0 0 101 -4,-3.6 4,-2.0 1,-0.2 3,-0.8 0.957 111.1 50.2 -50.5 -54.9 49.6 -18.8 74.8 68 68 A A H 3X S+ 0 0 6 -4,-3.3 4,-2.3 1,-0.3 -1,-0.2 0.783 106.7 55.5 -59.1 -31.0 46.8 -17.9 72.4 69 69 A A H 3X S+ 0 0 8 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.3 0.874 106.6 51.3 -65.1 -38.0 48.5 -14.5 71.8 70 70 A C H X S+ 0 0 84 -4,-2.7 4,-3.5 1,-0.2 3,-0.9 0.883 114.3 48.2 -59.5 -40.4 52.9 -16.8 64.8 75 75 A L H 3< S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.923 106.3 54.6 -66.1 -45.4 49.8 -16.9 62.5 76 76 A A T 3< S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.336 118.4 39.7 -71.8 9.7 49.9 -13.2 61.8 77 77 A W T <4 S+ 0 0 184 -3,-0.9 2,-1.5 -5,-0.1 -2,-0.2 0.651 109.9 53.0-118.0 -56.7 53.5 -13.9 60.7 78 78 A F S < S+ 0 0 144 -4,-3.5 2,-0.4 -5,-0.1 -2,-0.1 -0.187 93.6 101.7 -78.4 44.0 53.3 -17.2 58.8 79 79 A E - 0 0 99 -2,-1.5 2,-0.2 2,-0.0 8,-0.0 -0.999 66.6-133.2-131.6 136.5 50.5 -15.7 56.7 80 80 A E + 0 0 185 -2,-0.4 2,-0.3 2,-0.0 3,-0.1 -0.533 55.4 69.9 -89.0 151.6 50.8 -14.4 53.1 81 81 A G S S- 0 0 62 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.917 74.2 -99.7 141.1-166.4 49.4 -11.1 51.8 82 82 A E S S+ 0 0 164 -2,-0.3 2,-1.7 1,-0.0 3,-0.3 0.507 84.3 101.0-128.3 -19.6 50.0 -7.3 52.0 83 83 A E + 0 0 84 1,-0.2 3,-0.2 -3,-0.1 -1,-0.0 -0.541 34.2 146.8 -72.9 84.7 47.2 -6.2 54.5 84 84 A T >> + 0 0 92 -2,-1.7 4,-1.5 1,-0.2 3,-1.4 0.708 61.2 70.1 -90.8 -26.1 49.4 -6.0 57.7 85 85 A I T 34 S+ 0 0 129 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.494 111.8 33.9 -71.5 -3.2 47.4 -3.1 59.2 86 86 A T T 34 S+ 0 0 26 -3,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.101 113.6 60.8-135.2 19.4 44.6 -5.7 59.7 87 87 A A T <4 S+ 0 0 22 -3,-1.4 3,-0.3 -11,-0.1 -2,-0.2 0.777 104.3 39.4-111.7 -50.6 46.7 -8.8 60.4 88 88 A F S X S+ 0 0 61 -4,-1.5 4,-1.7 1,-0.2 5,-0.2 0.391 91.8 90.9 -85.0 -0.5 48.8 -8.0 63.6 89 89 A V H > S+ 0 0 37 -5,-0.2 4,-3.0 2,-0.2 5,-0.2 0.977 84.6 52.2 -57.8 -55.2 45.9 -6.2 65.3 90 90 A E H > S+ 0 0 44 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.932 110.5 42.5 -47.0 -68.2 44.6 -9.4 66.9 91 91 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.858 116.8 50.4 -55.0 -35.5 47.9 -10.6 68.6 92 92 A F H X S+ 0 0 138 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.937 107.5 52.8 -63.4 -47.3 48.6 -7.0 69.7 93 93 A V H X S+ 0 0 42 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.898 110.3 48.1 -56.0 -45.0 45.1 -6.6 71.2 94 94 A I H X S+ 0 0 4 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.913 113.0 47.9 -63.3 -42.9 45.5 -9.7 73.3 95 95 A L H X S+ 0 0 85 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.928 108.1 55.1 -64.5 -44.2 48.9 -8.6 74.5 96 96 A L H X S+ 0 0 97 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.875 106.0 51.8 -57.4 -41.3 47.7 -5.1 75.3 97 97 A I H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.903 111.0 47.9 -59.6 -42.1 44.9 -6.6 77.6 98 98 A L H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.857 111.9 49.6 -70.1 -33.9 47.6 -8.7 79.4 99 99 A I H X S+ 0 0 87 -4,-2.4 4,-3.4 2,-0.2 -2,-0.2 0.937 112.8 45.7 -66.8 -51.2 49.8 -5.6 79.8 100 100 A A H X S+ 0 0 46 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.880 113.7 51.9 -55.9 -39.7 47.0 -3.5 81.2 101 101 A N H X S+ 0 0 59 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.955 114.1 40.9 -63.0 -52.3 46.1 -6.5 83.4 102 102 A A H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.870 112.5 56.9 -64.5 -39.2 49.6 -6.8 84.7 103 103 A I H X S+ 0 0 106 -4,-3.4 4,-2.2 2,-0.2 3,-0.5 0.982 109.5 44.5 -53.1 -58.5 49.9 -3.0 85.0 104 104 A V H X S+ 0 0 77 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.922 109.2 56.3 -55.2 -49.7 46.9 -2.8 87.3 105 105 A G H X S+ 0 0 12 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.869 110.4 45.3 -49.1 -43.4 48.0 -5.8 89.4 106 106 A V H X S+ 0 0 29 -4,-2.0 4,-2.2 -3,-0.5 -1,-0.2 0.877 108.4 55.9 -68.6 -41.1 51.3 -3.9 90.0 107 107 A W H X S+ 0 0 167 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.827 105.2 55.2 -60.4 -33.4 49.5 -0.6 90.8 108 108 A Q H X S+ 0 0 115 -4,-2.2 4,-0.5 -5,-0.2 3,-0.3 0.922 108.8 45.2 -65.1 -47.7 47.5 -2.5 93.4 109 109 A E H >< S+ 0 0 73 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.898 106.3 57.5 -65.9 -44.4 50.6 -3.8 95.3 110 110 A R H 3< S+ 0 0 216 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 114.1 42.9 -55.1 -28.3 52.5 -0.4 95.3 111 111 A N H 3< S+ 0 0 79 -4,-0.8 2,-0.4 -3,-0.3 -1,-0.3 0.503 93.5 99.0 -98.9 -6.8 49.4 1.0 97.1 112 112 A A << - 0 0 62 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.0 -0.682 52.8-166.0 -84.6 129.1 48.8 -1.9 99.5 113 113 A E - 0 0 119 -2,-0.4 2,-0.2 616,-0.0 -3,-0.0 -0.969 8.6-146.0-117.2 127.7 50.1 -1.6 103.1 114 114 A N >> - 0 0 79 -2,-0.5 4,-0.7 1,-0.1 3,-0.6 -0.603 17.4-127.7 -89.1 152.6 50.4 -4.5 105.5 115 115 A A H >> S+ 0 0 8 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302 302 A L H X S+ 0 0 2 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.924 109.7 42.6 -63.3 -47.9 38.0 -20.9 71.3 303 303 A A H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.2 3,-0.3 0.912 117.4 48.0 -61.8 -43.5 40.2 -19.8 74.2 304 304 A V H < S+ 0 0 0 -4,-2.5 5,-0.3 1,-0.2 -2,-0.2 0.849 111.6 49.8 -67.7 -35.3 39.2 -16.1 73.6 305 305 A A H < S+ 0 0 0 -4,-3.0 467,-0.3 1,-0.2 -1,-0.2 0.706 111.5 50.1 -73.9 -21.8 35.5 -17.0 73.4 306 306 A A H < S+ 0 0 6 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.705 92.8 80.7 -95.3 -23.8 35.6 -19.1 76.6 307 307 A I S < S- 0 0 7 -4,-1.3 2,-2.2 -5,-0.1 3,-0.2 -0.717 75.0-136.2 -87.2 130.3 37.3 -16.6 78.9 308 308 A P > + 0 0 10 0, 0.0 3,-2.2 0, 0.0 457,-0.1 -0.514 32.5 178.9 -80.7 74.3 35.2 -13.9 80.5 309 309 A E T 3 S+ 0 0 18 -2,-2.2 4,-0.3 -5,-0.3 488,-0.1 0.781 73.7 44.4 -51.1 -36.7 37.9 -11.3 79.8 310 310 A G T 3> S+ 0 0 6 486,-0.7 4,-1.9 -3,-0.2 3,-0.3 0.519 86.6 94.4 -88.4 -3.1 36.0 -8.4 81.2 311 311 A L H <> S+ 0 0 10 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.902 81.4 51.8 -58.4 -49.7 34.8 -10.1 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13.4 143.7 397 397 A K E > S- U 0 400F 64 3,-2.9 3,-0.8 -2,-0.4 -15,-0.1 -0.908 94.6 -13.4-108.9 110.3 14.4 11.3 146.7 398 398 A N T 3 S- 0 0 138 -2,-0.7 -1,-0.2 -17,-0.2 -16,-0.1 0.927 128.6 -59.3 58.4 47.8 11.3 9.3 145.5 399 399 A D T 3 S+ 0 0 140 -3,-0.3 -1,-0.2 1,-0.2 -17,-0.0 0.149 114.4 120.2 70.9 -18.3 11.1 11.6 142.4 400 400 A K E < S-U 397 0F 151 -3,-0.8 -3,-2.9 1,-0.1 -1,-0.2 -0.651 73.1-117.0 -76.2 123.8 10.8 14.6 144.8 401 401 A P E -U 396 0F 91 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.474 41.2-177.3 -61.8 126.4 13.6 17.1 144.2 402 402 A I - 0 0 44 -7,-1.5 2,-0.5 -2,-0.2 -7,-0.4 -0.553 29.4-109.2-111.6-178.6 15.6 17.3 147.4 403 403 A R > - 0 0 126 -2,-0.2 3,-1.2 1,-0.2 4,-0.1 -0.981 16.0-151.3-117.7 117.2 18.6 19.4 148.5 404 404 A S G > S+ 0 0 4 -2,-0.5 3,-2.6 48,-0.5 6,-0.3 0.915 93.1 63.5 -50.1 -49.8 21.8 17.4 148.8 405 405 A G G 3 S+ 0 0 18 47,-0.4 -1,-0.2 48,-0.4 6,-0.1 0.718 89.0 66.3 -49.0 -32.9 23.1 19.9 151.4 406 406 A Q G < S+ 0 0 122 -3,-1.2 2,-0.4 1,-0.1 -1,-0.3 0.489 97.1 67.8 -69.8 -1.9 20.4 19.0 153.9 407 407 A F <> - 0 0 44 -3,-2.6 4,-0.9 -4,-0.1 -1,-0.1 -0.984 64.2-164.3-122.7 126.1 22.0 15.5 154.1 408 408 A D H >> S+ 0 0 89 -2,-0.4 4,-1.9 1,-0.2 3,-1.0 0.936 90.1 62.1 -78.5 -45.3 25.4 15.1 155.7 409 409 A G H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.845 107.1 51.1 -37.5 -37.3 26.1 11.6 154.3 410 410 A L H 3> S+ 0 0 0 -6,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.793 100.3 59.2 -80.7 -30.4 25.8 13.5 151.0 411 411 A V H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 3,-0.6 0.946 110.3 59.5 -65.8 -51.6 31.0 13.6 152.4 413 413 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.875 111.4 44.0 -40.1 -47.6 29.9 11.4 149.5 414 414 A A H 3X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.780 106.7 59.1 -71.5 -31.8 30.5 14.5 147.3 415 415 A T H > -B 433 0G 31 5,-1.7 4,-2.2 -2,-0.8 5,-0.9 -0.716 10.9-169.2 -83.1 101.8 34.2 23.8 124.8 429 429 A E T 45S+ 0 0 153 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.737 83.1 62.5 -63.9 -24.5 33.0 27.2 123.4 430 430 A T T 45S+ 0 0 130 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.952 117.6 24.7 -65.1 -53.4 33.7 25.8 119.8 431 431 A K T 45S- 0 0 134 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.628 103.0-130.8 -86.6 -17.1 31.1 23.0 120.1 432 432 A G T <5S+ 0 0 41 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.695 71.4 95.8 73.2 20.7 29.0 24.8 122.7 433 433 A V E - 0 0 100 -2,-0.4 4,-2.1 1,-0.1 -2,-0.2 -0.499 57.5-127.2 -84.2 156.7 38.4 9.1 132.3 440 440 A A H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.922 109.4 48.8 -66.4 -45.4 34.7 8.6 131.6 441 441 A T H 4 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.825 113.9 46.6 -69.3 -31.5 34.0 7.1 135.0 442 442 A E H >> S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.867 108.2 53.1 -80.4 -37.7 35.8 9.9 136.8 443 443 A T H 3X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.3 5,-0.2 0.891 101.7 60.9 -67.0 -35.6 34.2 12.8 134.9 444 444 A A H 3X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -81,-0.4 0.788 105.2 49.8 -56.2 -28.0 30.8 11.4 135.8 445 445 A L H <> S+ 0 0 0 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.2 0.884 109.3 49.9 -80.3 -38.7 31.8 11.9 139.4 446 446 A T H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.943 112.6 47.9 -62.0 -48.9 32.9 15.5 138.7 447 447 A T H X S+ 0 0 7 -4,-3.6 4,-1.7 1,-0.2 3,-0.3 0.926 108.6 55.4 -55.3 -47.6 29.5 16.1 136.9 448 448 A L H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.822 103.9 52.3 -57.9 -36.8 27.7 14.6 139.9 449 449 A V H X S+ 0 0 2 -4,-1.7 4,-2.4 -3,-0.3 5,-0.4 0.877 107.2 54.5 -70.5 -33.6 29.2 16.9 142.4 450 450 A E H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.851 110.4 44.4 -65.0 -38.4 28.2 19.9 140.3 451 451 A K H < S+ 0 0 19 -4,-1.7 -56,-0.3 1,-0.1 -1,-0.2 0.838 113.6 52.9 -73.0 -31.7 24.5 18.8 140.3 452 452 A M H < S- 0 0 7 -4,-1.6 -48,-0.5 -5,-0.2 -47,-0.4 0.920 76.2-173.7 -72.3 -45.9 24.7 18.1 144.0 453 453 A N >< - 0 0 25 -4,-2.4 3,-2.2 1,-0.1 -48,-0.4 0.942 2.9-171.3 51.3 61.6 26.0 21.4 145.1 454 454 A V T 3 S+ 0 0 9 -5,-0.4 -1,-0.1 1,-0.3 -43,-0.1 0.703 81.1 43.6 -62.7 -18.2 26.4 20.2 148.7 455 455 A F T 3 S- 0 0 79 -44,-0.1 -1,-0.3 16,-0.0 -2,-0.1 0.130 104.8-123.1-111.9 18.5 27.2 23.8 150.0 456 456 A N < - 0 0 75 -3,-2.2 -2,-0.1 -4,-0.2 -3,-0.1 0.819 43.6-172.4 41.0 42.3 24.5 25.6 148.0 457 457 A T - 0 0 43 1,-0.1 2,-0.9 2,-0.0 3,-0.2 -0.284 36.1 -98.5 -60.6 144.5 27.2 27.8 146.4 458 458 A E + 0 0 115 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.604 66.8 145.9 -68.5 104.5 26.1 30.8 144.3 459 459 A V > + 0 0 20 -2,-0.9 3,-0.7 2,-0.1 -1,-0.2 0.694 48.6 72.5-117.6 -33.4 26.5 29.1 140.9 460 460 A R T 3 S+ 0 0 209 1,-0.2 -2,-0.1 -3,-0.2 7,-0.1 0.732 96.2 56.4 -63.2 -25.9 23.7 30.5 138.7 461 461 A N T 3 S+ 0 0 135 6,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.804 88.7 96.4 -73.3 -32.5 25.5 33.9 138.5 462 462 A L S < S- 0 0 60 -3,-0.7 -3,-0.1 -4,-0.1 5,-0.0 -0.173 81.0-105.9 -64.0 152.0 28.8 32.4 137.1 463 463 A S > - 0 0 60 1,-0.1 4,-0.6 4,-0.0 -1,-0.1 0.225 36.9 -97.0 -60.3-169.1 29.5 32.2 133.4 464 464 A K H > S+ 0 0 101 2,-0.2 4,-0.8 3,-0.1 -1,-0.1 0.906 121.8 41.6 -83.3 -44.1 29.3 29.0 131.3 465 465 A V H >4 S+ 0 0 55 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.894 115.9 50.3 -69.0 -41.1 33.0 28.1 131.4 466 466 A E H 34 S+ 0 0 129 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.746 101.5 64.0 -69.5 -25.8 33.4 29.0 135.1 467 467 A R H >< S+ 0 0 40 -4,-0.6 3,-1.4 1,-0.2 4,-0.4 0.842 85.3 78.9 -63.7 -36.1 30.3 26.9 135.9 468 468 A A T << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.840 110.1 14.3 -40.6 -59.2 32.1 23.7 134.8 469 469 A N T 3> S+ 0 0 36 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.3 -0.059 91.0 116.5-117.5 32.3 34.2 23.1 137.9 470 470 A A H <> S+ 0 0 14 -3,-1.4 4,-1.6 2,-0.2 -1,-0.1 0.972 77.2 41.7 -67.6 -59.8 32.6 25.4 140.5 471 471 A C H > S+ 0 0 5 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.803 117.0 52.5 -61.1 -30.5 31.3 23.0 143.2 472 472 A N H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.966 104.5 52.7 -64.5 -57.1 34.5 21.0 142.9 473 473 A S H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.803 107.4 55.6 -48.9 -34.9 36.8 24.0 143.4 474 474 A V H X S+ 0 0 39 -4,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.938 108.4 45.2 -64.3 -49.0 34.8 24.6 146.6 475 475 A I H >X S+ 0 0 4 -4,-1.5 3,-1.1 -3,-0.4 4,-0.7 0.865 107.4 60.3 -66.5 -35.0 35.5 21.2 148.0 476 476 A R H >< S+ 0 0 92 -4,-2.5 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22,-0.3 4,-1.9 1,-0.2 3,-0.5 0.965 110.1 44.4 -48.5 -68.0 38.8 -17.0 134.4 657 657 A E H > S+ 0 0 63 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.839 114.4 51.3 -45.3 -43.6 36.0 -19.6 133.8 658 658 A F H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 107.6 50.9 -68.2 -41.1 37.1 -19.9 130.1 659 659 A D H < S+ 0 0 54 -4,-2.7 -1,-0.2 -3,-0.5 -2,-0.2 0.853 106.8 56.2 -61.5 -36.7 40.7 -20.6 130.9 660 660 A D H < S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.827 88.9 89.7 -69.2 -34.9 39.7 -23.3 133.4 661 661 A L S < S- 0 0 34 -4,-1.2 2,-0.1 -3,-0.1 5,-0.0 -0.406 86.7-114.2 -61.4 135.6 37.7 -25.2 130.7 662 662 A P >> - 0 0 67 0, 0.0 4,-1.8 0, 0.0 3,-1.4 -0.418 36.4 -94.2 -71.3 153.8 39.8 -27.8 128.8 663 663 A L H 3> S+ 0 0 138 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.736 123.9 52.1 -37.5 -46.7 40.4 -27.2 125.1 664 664 A A H 3> S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.910 111.9 45.5 -59.0 -45.9 37.5 -29.3 123.9 665 665 A E H <> S+ 0 0 96 -3,-1.4 4,-3.5 2,-0.2 -1,-0.2 0.813 108.2 56.2 -72.5 -33.9 35.0 -27.5 126.2 666 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