==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-10 3AR2 . COMPND 2 MOLECULE: SARCOPLASMIC/ENDOPLASMIC RETICULUM CALCIUM ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.TOYOSHIMA,S.YONEKURA,J.TSUEDA,S.IWASAWA . 994 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 705 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 10.6 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 . 64 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 3 2 2 0 1 3 3 2 0 2 1 0 1 2 0 0 2 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 1 3 1 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 PARALLEL BRIDGES PER LADDER . 3 5 3 2 4 2 1 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 0 1 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 10 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.0 86.0 -5.8 50.1 2 2 A E - 0 0 142 1,-0.2 223,-0.0 2,-0.1 0, 0.0 -0.753 360.0 -4.2 -94.7 131.7 83.1 -8.0 49.0 3 3 A A S >> S+ 0 0 37 -2,-0.4 3,-1.0 1,-0.1 4,-0.7 0.943 70.9 164.6 53.2 57.7 79.9 -8.1 51.1 4 4 A A T 34 + 0 0 3 -3,-0.5 8,-0.1 1,-0.2 -1,-0.1 0.669 68.3 70.1 -74.8 -18.4 81.2 -5.7 53.8 5 5 A H T 34 S+ 0 0 9 1,-0.2 189,-3.2 188,-0.1 -1,-0.2 0.643 96.6 54.5 -70.9 -14.8 77.6 -5.2 55.0 6 6 A S T <4 S+ 0 0 30 -3,-1.0 -1,-0.2 187,-0.2 2,-0.2 0.807 100.7 64.1 -87.5 -37.2 77.8 -8.9 56.2 7 7 A K S < S- 0 0 42 -4,-0.7 187,-0.1 1,-0.1 5,-0.0 -0.563 86.5-108.2 -92.9 156.2 80.8 -8.6 58.4 8 8 A S > - 0 0 30 -2,-0.2 4,-1.4 185,-0.1 -1,-0.1 0.032 35.8 -95.9 -71.5-177.5 81.2 -6.5 61.6 9 9 A T H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 125.1 50.2 -65.1 -44.6 83.3 -3.4 62.0 10 10 A E H > S+ 0 0 145 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.867 106.7 54.6 -64.0 -40.1 86.2 -5.4 63.4 11 11 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 112.8 43.2 -61.2 -40.2 86.2 -7.9 60.5 12 12 A C H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.877 113.8 49.7 -74.7 -42.7 86.5 -5.1 58.0 13 13 A L H >X>S+ 0 0 18 -4,-2.5 5,-1.8 2,-0.2 4,-1.1 0.947 117.3 40.5 -58.8 -52.4 89.1 -3.1 59.9 14 14 A A H 3<5S+ 0 0 75 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.897 104.7 67.1 -64.4 -43.7 91.3 -6.2 60.4 15 15 A Y H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.810 114.2 30.5 -47.7 -36.1 90.6 -7.4 56.9 16 16 A F H <<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.582 111.7-120.4 -99.4 -13.8 92.6 -4.4 55.6 17 17 A G T <5 + 0 0 44 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.979 61.4 142.1 71.7 58.8 94.9 -4.2 58.5 18 18 A V < - 0 0 15 -5,-1.8 2,-0.5 6,-0.1 -1,-0.2 -0.977 53.0-125.0-131.0 144.1 94.0 -0.6 59.7 19 19 A S >> - 0 0 78 -2,-0.3 4,-2.4 4,-0.3 3,-1.7 -0.792 29.5-126.5 -87.2 128.3 93.6 1.0 63.1 20 20 A E T 34 S+ 0 0 70 -2,-0.5 -1,-0.1 1,-0.3 110,-0.1 0.779 104.1 30.4 -45.3 -43.5 90.1 2.6 63.3 21 21 A T T 34 S+ 0 0 111 1,-0.1 -1,-0.3 2,-0.1 110,-0.1 0.418 121.9 50.6-102.0 3.3 91.2 6.1 64.3 22 22 A T T <4 S- 0 0 62 -3,-1.7 112,-0.2 108,-0.1 -2,-0.2 0.825 84.7-160.6-104.7 -50.9 94.6 6.1 62.6 23 23 A G < - 0 0 3 -4,-2.4 -4,-0.3 108,-0.2 108,-0.2 -0.117 40.5 -23.4 84.6 170.8 93.9 5.0 59.0 24 24 A L B -a 131 0A 0 106,-0.5 108,-2.3 107,-0.2 109,-0.5 -0.127 61.7-124.2 -54.7 144.5 96.3 3.7 56.3 25 25 A T >> - 0 0 55 106,-0.2 3,-1.9 107,-0.2 4,-1.5 -0.572 32.4-102.8 -84.7 153.7 100.0 4.3 56.5 26 26 A P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.850 125.6 51.7 -46.0 -40.5 101.7 6.0 53.5 27 27 A D H 3> S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.744 105.9 55.3 -70.3 -23.8 103.1 2.5 52.4 28 28 A Q H <> S+ 0 0 40 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.766 108.5 48.4 -76.1 -27.9 99.6 1.0 52.7 29 29 A V H X S+ 0 0 23 -4,-1.5 4,-3.0 -3,-0.3 5,-0.2 0.930 110.5 49.2 -76.7 -47.9 98.3 3.7 50.3 30 30 A K H X S+ 0 0 117 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.950 117.8 42.4 -51.0 -52.7 101.1 3.1 47.7 31 31 A R H X S+ 0 0 153 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.886 116.4 46.5 -63.5 -44.7 100.5 -0.7 48.0 32 32 A H H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.859 105.6 59.3 -69.2 -36.6 96.6 -0.4 47.9 33 33 A L H X S+ 0 0 48 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.843 109.6 46.0 -58.6 -35.2 96.7 2.1 45.0 34 34 A E H < S+ 0 0 122 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.3 43.1 -74.0 -48.0 98.5 -0.6 43.0 35 35 A K H < S+ 0 0 152 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.767 132.8 22.2 -69.1 -27.0 96.2 -3.6 44.0 36 36 A Y H < S- 0 0 68 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.487 96.4-140.9-121.5 -8.4 93.0 -1.5 43.5 37 37 A G < - 0 0 31 -4,-1.5 -1,-0.1 -5,-0.3 -3,-0.1 0.032 46.0 -39.3 67.3 176.0 93.8 1.4 41.2 38 38 A H - 0 0 63 1,-0.1 2,-1.4 108,-0.1 106,-0.2 -0.261 62.0-105.2 -70.0 161.1 92.5 4.9 41.6 39 39 A N S S+ 0 0 16 104,-1.6 2,-0.3 103,-0.1 106,-0.2 -0.632 82.7 84.9 -90.8 80.2 88.9 5.6 42.7 40 40 A E - 0 0 87 -2,-1.4 188,-0.1 103,-0.1 186,-0.0 -0.899 65.2-112.4-160.7-176.7 87.4 6.7 39.5 41 41 A L - 0 0 67 -2,-0.3 2,-0.3 186,-0.1 186,-0.1 -0.871 43.9 -81.0-130.0 160.3 85.7 5.7 36.2 42 42 A P - 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.497 55.6-123.0 -63.9 120.4 86.6 5.8 32.5 43 43 A A - 0 0 70 -2,-0.3 2,-0.5 1,-0.1 -3,-0.0 0.063 20.2-110.5 -58.7 172.2 85.8 9.3 31.2 44 44 A E + 0 0 106 73,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.944 41.0 167.3-113.6 128.2 83.5 10.1 28.3 45 45 A E - 0 0 154 -2,-0.5 2,-0.2 0, 0.0 69,-0.0 -0.313 29.8-117.3-119.5-159.8 84.8 11.4 25.0 46 46 A G + 0 0 41 -2,-0.1 3,-0.2 1,-0.1 -2,-0.0 -0.619 40.7 143.6-156.0 93.6 83.5 12.0 21.4 47 47 A K S S+ 0 0 169 1,-0.3 2,-0.8 -2,-0.2 -1,-0.1 0.929 73.9 34.7 -88.3 -76.5 84.8 10.3 18.3 48 48 A S > - 0 0 84 1,-0.1 3,-0.7 3,-0.0 -1,-0.3 -0.762 61.6-162.9 -89.5 110.4 82.0 9.6 15.9 49 49 A L T > + 0 0 70 -2,-0.8 3,-0.6 1,-0.2 4,-0.3 0.116 58.8 116.6 -77.3 24.2 79.4 12.4 16.1 50 50 A W T >> S+ 0 0 211 1,-0.3 4,-1.7 2,-0.2 3,-1.1 0.862 70.3 50.4 -64.3 -41.3 77.0 9.9 14.3 51 51 A E H <> S+ 0 0 103 -3,-0.7 4,-0.6 1,-0.3 -1,-0.3 0.680 107.8 56.3 -70.3 -17.5 74.5 9.7 17.2 52 52 A L H <4 S+ 0 0 6 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.476 105.8 51.6 -91.7 -5.4 74.5 13.5 17.3 53 53 A V H X> S+ 0 0 56 -3,-1.1 3,-1.3 -4,-0.3 4,-0.7 0.808 99.0 60.8 -96.4 -42.4 73.4 13.5 13.6 54 54 A I H >< S+ 0 0 100 -4,-1.7 3,-1.0 1,-0.3 -2,-0.2 0.865 101.0 57.2 -51.8 -39.0 70.5 11.2 13.9 55 55 A E G >< S+ 0 0 91 -4,-0.6 3,-1.0 1,-0.2 4,-0.4 0.735 94.9 64.7 -68.1 -24.6 68.9 13.6 16.3 56 56 A Q G <4 S+ 0 0 26 -3,-1.3 -1,-0.2 1,-0.3 3,-0.2 0.754 105.0 46.2 -69.5 -25.1 69.0 16.4 13.7 57 57 A F G << S+ 0 0 57 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 -0.309 93.9 81.5-111.7 45.0 66.6 14.5 11.5 58 58 A E < + 0 0 95 -3,-1.0 -1,-0.1 5,-0.0 -2,-0.1 0.628 61.1 100.7-120.4 -26.3 64.1 13.5 14.3 59 59 A D S > S- 0 0 31 -4,-0.4 4,-1.3 -3,-0.2 3,-0.0 -0.163 79.3-115.9 -59.8 157.1 61.8 16.6 14.6 60 60 A L H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.941 110.5 52.9 -57.7 -52.0 58.4 16.6 13.0 61 61 A L H > S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.818 109.2 47.2 -59.8 -37.2 59.2 19.5 10.6 62 62 A V H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 106.7 58.6 -76.4 -28.8 62.4 18.0 9.1 63 63 A R H X S+ 0 0 143 -4,-1.3 4,-2.2 -3,-0.4 -2,-0.2 0.823 100.3 56.3 -67.6 -35.0 60.7 14.6 8.6 64 64 A I H X S+ 0 0 51 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.899 112.5 42.0 -63.2 -41.1 58.0 16.2 6.4 65 65 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.824 110.0 57.6 -71.8 -32.6 60.9 17.5 4.2 66 66 A L H X S+ 0 0 81 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.863 111.4 43.0 -63.6 -35.5 62.6 14.1 4.6 67 67 A L H X S+ 0 0 110 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.908 110.7 55.5 -72.1 -46.9 59.4 12.7 3.1 68 68 A A H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.946 108.5 46.4 -50.5 -56.8 59.2 15.4 0.5 69 69 A A H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 112.4 53.9 -56.6 -32.5 62.7 14.7 -0.8 70 70 A C H >< S+ 0 0 73 -4,-0.9 3,-1.3 -5,-0.2 4,-0.4 0.937 110.1 44.0 -67.8 -49.1 61.7 11.0 -0.8 71 71 A I H >X S+ 0 0 59 -4,-2.8 3,-1.6 1,-0.3 4,-1.2 0.870 105.3 62.6 -63.8 -38.7 58.6 11.5 -2.9 72 72 A S T 3< S+ 0 0 15 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.505 102.6 52.7 -67.8 -1.9 60.5 13.8 -5.3 73 73 A F T <> S+ 0 0 94 -3,-1.3 4,-0.7 -5,-0.2 -1,-0.3 0.526 98.9 61.7-104.3 -15.0 62.6 10.7 -6.0 74 74 A V T <4 S+ 0 0 75 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.765 108.0 44.6 -77.6 -27.3 59.6 8.5 -6.8 75 75 A L T < S+ 0 0 28 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.542 98.0 74.6 -91.1 -11.9 58.9 11.0 -9.7 76 76 A A T >4 S+ 0 0 3 1,-0.2 3,-0.7 -5,-0.2 -2,-0.2 0.890 101.3 40.9 -66.4 -40.7 62.5 10.9 -10.7 77 77 A W T 3< S+ 0 0 177 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.480 114.0 55.8 -85.2 -4.3 62.1 7.4 -12.2 78 78 A F T 3 S+ 0 0 171 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.139 86.2 111.4-116.7 33.2 58.7 8.4 -13.6 79 79 A E < - 0 0 49 -3,-0.7 2,-0.1 5,-0.0 5,-0.1 -0.904 68.9-115.9-113.2 138.7 60.0 11.5 -15.5 80 80 A E > - 0 0 78 -2,-0.4 2,-2.1 1,-0.1 3,-1.1 -0.407 36.2-101.4 -71.1 144.1 60.2 11.8 -19.3 81 81 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.433 106.4 63.4 -71.2 79.4 63.6 12.1 -21.0 82 82 A E T 3 S+ 0 0 114 -2,-2.1 -1,-0.2 0, 0.0 3,-0.1 0.255 112.5 21.9-161.8 -42.9 63.7 15.9 -21.6 83 83 A E S X S+ 0 0 53 -3,-1.1 3,-1.6 1,-0.1 4,-0.5 -0.007 82.5 116.3-126.4 23.9 63.6 17.7 -18.3 84 84 A T G >> + 0 0 45 -4,-0.3 4,-1.6 1,-0.3 3,-1.3 0.834 67.5 70.8 -60.0 -33.8 64.9 14.8 -16.1 85 85 A I G 34 S+ 0 0 88 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.718 105.2 39.2 -55.0 -22.7 67.9 17.0 -15.4 86 86 A T G <4 S+ 0 0 14 -3,-1.6 4,-0.5 2,-0.1 -1,-0.3 0.449 106.5 64.9-107.6 -6.8 65.5 19.1 -13.3 87 87 A A T <4 S+ 0 0 3 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.739 107.6 40.6 -86.1 -25.4 63.6 16.1 -11.8 88 88 A F S X S+ 0 0 70 -4,-1.6 4,-0.8 2,-0.2 -2,-0.1 0.660 105.3 63.9 -95.2 -22.6 66.7 14.8 -9.9 89 89 A V H > S+ 0 0 35 -4,-0.3 4,-0.6 -5,-0.3 -2,-0.1 0.795 91.4 70.3 -70.0 -28.5 67.9 18.3 -8.8 90 90 A E H >> S+ 0 0 11 -4,-0.5 3,-2.7 1,-0.2 4,-1.0 0.966 95.0 47.8 -54.0 -63.7 64.8 18.7 -6.8 91 91 A P H >> S+ 0 0 8 0, 0.0 4,-1.2 0, 0.0 3,-0.6 0.827 109.3 56.0 -49.9 -35.9 65.5 16.1 -4.0 92 92 A F H 3X S+ 0 0 150 -4,-0.8 4,-1.1 1,-0.2 -2,-0.2 0.593 104.0 52.9 -75.1 -10.5 69.0 17.5 -3.6 93 93 A V H << S+ 0 0 9 -3,-2.7 4,-0.5 -4,-0.6 -1,-0.2 0.606 109.6 48.8 -95.2 -15.2 67.6 21.0 -2.9 94 94 A I H S+ 0 0 2 -4,-0.5 4,-2.0 2,-0.2 5,-0.2 0.958 114.2 45.9 -69.7 -50.1 68.8 22.7 3.3 98 98 A L H X S+ 0 0 7 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.916 114.3 48.0 -56.8 -48.1 68.4 19.9 5.9 99 99 A I H X S+ 0 0 81 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.913 108.0 53.2 -64.7 -45.8 72.0 18.9 5.8 100 100 A A H X S+ 0 0 29 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.925 113.0 44.6 -55.3 -47.3 73.4 22.4 6.1 101 101 A N H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.880 108.5 57.9 -64.6 -37.8 71.3 23.0 9.3 102 102 A A H X S+ 0 0 10 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.911 106.3 50.4 -57.4 -43.0 72.3 19.5 10.6 103 103 A I H X S+ 0 0 90 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.979 110.4 45.7 -59.4 -61.0 75.9 20.6 10.4 104 104 A V H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.854 117.2 49.7 -52.0 -36.1 75.5 23.9 12.3 105 105 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.998 114.3 38.1 -65.8 -67.7 73.4 21.9 14.8 106 106 A V H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.854 119.1 51.5 -55.2 -37.7 75.7 19.0 15.5 107 107 A W H X S+ 0 0 164 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.962 110.5 46.5 -61.9 -54.1 78.7 21.3 15.4 108 108 A Q H X S+ 0 0 21 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.855 112.7 52.7 -57.2 -37.0 77.2 23.7 17.8 109 109 A E H X S+ 0 0 45 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.909 104.8 52.5 -65.3 -46.0 76.3 20.8 20.0 110 110 A R H X S+ 0 0 35 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.873 108.3 53.5 -61.1 -36.2 79.8 19.3 20.1 111 111 A N H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 3,-0.4 0.940 110.3 45.4 -61.6 -50.3 81.1 22.7 21.2 112 112 A A H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 3,-0.2 0.971 110.2 52.5 -57.9 -57.6 78.7 23.0 24.2 113 113 A E H X S+ 0 0 69 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.720 111.8 50.7 -53.0 -23.2 79.2 19.4 25.4 114 114 A N H X S+ 0 0 99 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.906 107.5 47.0 -83.3 -46.6 83.0 20.2 25.3 115 115 A A H < S+ 0 0 22 -4,-2.2 4,-0.5 -3,-0.2 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0.918 102.4 50.8 -59.7 -49.3 60.3 28.9 55.6 684 684 A K H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.970 113.0 47.9 -58.6 -48.3 62.6 29.5 52.7 685 685 A S H X S+ 0 0 24 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.875 112.8 49.1 -54.4 -43.4 60.5 26.9 50.7 686 686 A K H X S+ 0 0 60 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.909 109.2 52.0 -64.1 -44.8 57.3 28.6 51.9 687 687 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.980 111.7 46.1 -53.4 -60.5 58.5 32.1 50.9 688 688 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.889 111.6 52.7 -50.5 -47.3 59.4 31.0 47.4 689 689 A E H X S+ 0 0 103 -4,-2.2 4,-1.5 -5,-0.2 3,-0.4 0.941 106.9 52.4 -55.0 -52.4 56.1 29.2 47.2 690 690 A Y H >X S+ 0 0 26 -4,-3.0 3,-1.1 1,-0.3 4,-0.8 0.940 106.2 53.0 -47.6 -56.0 54.2 32.4 48.1 691 691 A L H ><>S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.3 5,-0.6 0.849 108.4 52.8 -48.5 -37.8 56.0 34.3 45.4 692 692 A Q H ><5S+ 0 0 23 -4,-1.7 3,-2.0 -3,-0.4 -1,-0.3 0.771 93.7 67.7 -73.2 -27.7 54.8 31.7 43.0 693 693 A S H <<5S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.716 95.8 58.1 -65.3 -19.0 51.2 32.0 44.0 694 694 A Y T <<5S- 0 0 52 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.089 124.9-112.6 -89.1 19.9 51.4 35.4 42.4 695 695 A D T < 5 + 0 0 94 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.914 66.4 149.3 44.8 57.9 52.4 33.4 39.3 696 696 A E < - 0 0 56 -5,-0.6 2,-0.7 127,-0.1 -1,-0.2 -0.882 55.0-115.0-115.0 148.2 55.9 34.7 39.2 697 697 A I E -k 345 0D 24 -353,-0.5 -351,-2.1 -2,-0.3 -350,-1.2 -0.777 43.4-164.1 -82.7 115.7 59.0 32.8 37.9 698 698 A T E -k 347 0D 0 -2,-0.7 18,-1.5 -353,-0.2 17,-1.0 -0.843 13.6-166.5-110.0 139.8 61.1 32.4 41.0 699 699 A A E -ko 348 716D 0 -352,-2.2 -350,-2.2 -2,-0.4 2,-0.4 -0.777 5.9-156.0-114.6 163.3 64.7 31.5 41.4 700 700 A M E -ko 349 717D 0 16,-1.5 18,-3.3 -2,-0.3 2,-0.5 -0.985 2.8-162.7-142.2 130.2 66.5 30.5 44.6 701 701 A T E +ko 350 718D 0 -352,-2.0 -350,-3.8 -2,-0.4 2,-0.3 -0.968 29.1 124.1-118.1 129.9 70.2 30.8 45.3 702 702 A G E - o 0 719D 0 16,-1.8 18,-1.9 -2,-0.5 21,-0.2 -0.941 44.0-155.1-164.0-172.0 72.1 28.8 48.1 703 703 A D + 0 0 18 -2,-0.3 21,-3.0 16,-0.2 24,-0.4 0.455 68.1 90.9-149.6 -23.7 74.8 26.5 49.3 704 704 A G S > S- 0 0 12 -351,-0.2 3,-1.7 19,-0.2 4,-0.3 -0.368 79.5-121.1 -81.4 156.3 73.4 25.0 52.5 705 705 A V G > S+ 0 0 29 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.826 115.4 67.8 -61.9 -27.0 71.3 21.8 53.1 706 706 A N G 3 S+ 0 0 20 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.642 96.2 54.4 -65.1 -11.5 68.8 24.3 54.5 707 707 A D G <> S+ 0 0 0 -3,-1.7 4,-3.3 1,-0.1 -1,-0.2 0.483 81.2 92.1 -98.2 -6.5 68.4 25.7 50.9 708 708 A A H <> S+ 0 0 10 -3,-1.2 4,-2.7 -4,-0.3 5,-0.3 0.930 85.0 47.3 -58.3 -51.3 67.5 22.4 49.2 709 709 A P H > S+ 0 0 52 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.966 116.7 44.9 -56.6 -50.7 63.7 22.5 49.6 710 710 A A H > S+ 0 0 0 -4,-0.3 4,-3.4 -29,-0.3 -2,-0.2 0.942 111.8 51.8 -54.0 -55.1 63.7 26.1 48.3 711 711 A L H < S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.2 -3,-0.2 0.888 115.3 42.4 -50.3 -46.5 66.1 25.4 45.4 712 712 A K H < S+ 0 0 131 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.934 114.5 50.4 -65.5 -48.7 63.9 22.4 44.3 713 713 A K H < S+ 0 0 81 -4,-3.2 -2,-0.2 -5,-0.3 -3,-0.2 0.912 95.9 85.8 -54.8 -49.3 60.7 24.4 44.8 714 714 A A S < S- 0 0 3 -4,-3.4 3,-0.2 -5,-0.2 -15,-0.2 -0.166 89.1-118.2 -56.8 147.0 61.9 27.4 42.8 715 715 A E S S+ 0 0 80 -17,-1.0 2,-0.4 1,-0.3 -16,-0.2 0.920 105.2 13.7 -48.6 -50.5 61.5 27.4 39.0 716 716 A I E S-o 699 0D 1 -18,-1.5 -16,-1.5 -375,-0.1 2,-0.4 -0.992 75.7-162.4-132.4 125.1 65.2 27.6 38.7 717 717 A G E -o 700 0D 0 -2,-0.4 15,-2.5 -18,-0.2 16,-1.8 -0.911 3.3-159.8-110.3 136.2 67.6 26.9 41.6 718 718 A I E -op 701 733D 0 -18,-3.3 -16,-1.8 -2,-0.4 2,-0.3 -0.962 6.1-162.3-121.8 116.9 71.3 28.0 41.6 719 719 A A E -op 702 734D 0 14,-2.1 16,-3.4 -2,-0.5 -16,-0.2 -0.737 23.0-115.0 -96.2 143.5 73.9 26.5 43.9 720 720 A M E > - p 0 735D 0 -18,-1.9 3,-1.5 -2,-0.3 16,-0.2 -0.537 19.1-133.1 -68.7 139.4 77.3 27.9 44.8 721 721 A G T 3 S+ 0 0 17 14,-2.6 15,-0.2 1,-0.3 -1,-0.1 0.798 110.3 53.5 -66.3 -28.2 80.2 25.8 43.5 722 722 A S T 3 S+ 0 0 85 13,-0.3 -1,-0.3 -368,-0.2 -19,-0.1 0.510 98.9 90.1 -77.9 -8.0 81.7 26.1 47.0 723 723 A G S < S- 0 0 19 -3,-1.5 2,-0.2 1,-0.2 -19,-0.2 0.197 86.1 -60.7 -80.8-160.2 78.5 24.8 48.6 724 724 A T > - 0 0 24 -21,-3.0 4,-2.4 1,-0.1 -1,-0.2 -0.498 34.6-123.6 -84.7 154.3 77.2 21.4 49.5 725 725 A A H > S+ 0 0 22 -569,-1.0 4,-3.1 1,-0.2 5,-0.2 0.896 113.6 54.7 -57.0 -40.9 76.6 18.4 47.2 726 726 A V H > S+ 0 0 22 -570,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.906 107.0 48.6 -66.8 -38.4 73.0 18.3 48.4 727 727 A A H 4 S+ 0 0 0 -24,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.941 114.4 47.4 -62.5 -45.6 72.4 22.0 47.6 728 728 A K H >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.860 107.2 55.9 -62.9 -40.0 73.9 21.3 44.2 729 729 A T H 3< S+ 0 0 67 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.8 50.0 -59.3 -36.5 71.8 18.1 43.6 730 730 A A T 3< S+ 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.493 100.4 90.5 -81.9 -0.7 68.7 20.2 44.2 731 731 A S < - 0 0 4 -3,-1.3 -13,-0.2 -4,-0.3 3,-0.1 -0.572 63.1-151.4-103.9 158.3 69.8 22.9 41.7 732 732 A E S S+ 0 0 47 -15,-2.5 -398,-1.7 1,-0.3 -397,-0.9 0.596 90.3 24.4 -95.5 -16.2 69.3 23.4 38.0 733 733 A M E -Jp 333 718D 1 -16,-1.8 -14,-2.1 -400,-0.2 2,-0.4 -0.972 66.6-150.5-155.0 136.4 72.5 25.3 37.8 734 734 A V E -Jp 332 719D 11 -402,-2.2 -402,-2.1 -2,-0.3 2,-1.4 -0.904 11.0-146.9-109.6 128.9 75.9 25.5 39.7 735 735 A L E > +Jp 331 720D 0 -16,-3.4 -14,-2.6 -2,-0.4 3,-1.7 -0.653 23.1 172.0 -90.3 81.0 78.1 28.6 40.0 736 736 A A T 3 S+ 0 0 43 -2,-1.4 -1,-0.2 -406,-0.9 -405,-0.2 0.850 83.4 55.7 -52.8 -36.2 81.5 26.7 40.1 737 737 A D T 3 S- 0 0 68 -407,-1.3 -1,-0.3 -408,-0.2 3,-0.1 0.709 101.6-140.6 -63.5 -28.7 82.9 30.2 39.9 738 738 A D < + 0 0 17 -3,-1.7 2,-0.8 -408,-0.3 -2,-0.1 0.541 52.1 148.1 68.5 8.4 80.9 31.2 43.0 739 739 A N > - 0 0 34 -410,-0.2 3,-1.0 1,-0.2 4,-0.4 -0.660 40.6-160.8 -82.6 108.0 80.4 34.5 41.0 740 740 A F T > S+ 0 0 1 -2,-0.8 3,-1.3 1,-0.2 4,-0.5 0.811 85.4 68.9 -54.6 -34.3 77.0 35.9 41.9 741 741 A S T >> S+ 0 0 40 1,-0.3 3,-2.0 2,-0.2 4,-1.5 0.863 82.3 70.9 -52.2 -45.5 77.1 38.1 38.7 742 742 A T H <> S+ 0 0 1 -3,-1.0 4,-3.0 1,-0.3 -1,-0.3 0.790 88.0 66.1 -45.6 -34.1 76.8 35.0 36.4 743 743 A I H <> S+ 0 0 1 -3,-1.3 4,-1.7 -4,-0.4 -1,-0.3 0.903 104.1 44.3 -54.6 -43.2 73.2 34.8 37.6 744 744 A V H <> S+ 0 0 13 -3,-2.0 4,-2.6 -4,-0.5 -2,-0.2 0.902 111.6 52.2 -68.7 -44.5 72.4 38.1 35.9 745 745 A A H X S+ 0 0 17 -4,-1.5 4,-3.2 1,-0.2 -2,-0.2 0.898 108.0 52.5 -58.0 -42.7 74.3 37.1 32.7 746 746 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.916 108.6 50.8 -59.6 -43.2 72.3 34.0 32.6 747 747 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.913 111.4 46.9 -62.0 -44.4 69.1 36.1 32.9 748 748 A E H >X S+ 0 0 75 -4,-2.6 4,-2.1 1,-0.2 3,-0.7 0.940 112.0 51.5 -59.9 -48.3 70.4 38.3 30.0 749 749 A E H 3X S+ 0 0 15 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.853 106.8 53.8 -56.2 -38.9 71.2 35.2 28.0 750 750 A G H 3X S+ 0 0 1 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.752 109.1 47.1 -69.8 -26.3 67.7 33.8 28.6 751 751 A R H X S+ 0 0 13 -4,-1.0 4,-2.4 2,-0.2 3,-0.5 0.972 110.9 45.9 -62.0 -58.4 63.9 34.3 23.4 755 755 A N H 3X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.3 5,-0.2 0.829 110.9 55.3 -54.7 -34.3 64.3 37.4 21.2 756 756 A N H 3X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -1,-0.3 0.886 107.8 48.3 -67.3 -36.8 66.4 35.3 18.8 757 757 A M H X S+ 0 0 10 -4,-2.4 4,-3.8 2,-0.2 3,-0.6 0.984 110.8 43.0 -59.4 -62.0 61.2 35.8 17.9 759 759 A Q H 3X S+ 0 0 5 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.884 112.7 54.9 -53.8 -40.6 63.2 37.3 15.0 760 760 A F H 3X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.876 115.0 39.4 -58.9 -39.9 63.7 33.8 13.6 761 761 A I H X S+ 0 0 1 -4,-2.6 4,-1.5 -5,-0.3 3,-0.7 0.995 113.4 45.0 -69.4 -68.1 58.8 35.9 4.4 768 768 A N H 3X S+ 0 0 8 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.729 111.7 57.7 -51.6 -24.0 57.2 32.5 3.7 769 769 A V H 3X S+ 0 0 36 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.923 101.8 52.0 -73.4 -45.0 53.8 34.3 3.8 770 770 A G H << S+ 0 0 0 -4,-1.4 4,-0.3 -3,-0.7 -2,-0.2 0.821 106.7 57.7 -57.3 -31.2 54.8 36.7 1.0 771 771 A E H X S+ 0 0 4 -4,-1.5 4,-1.1 2,-0.2 3,-0.5 0.919 109.8 41.0 -64.2 -46.5 55.7 33.6 -0.9 772 772 A V H >X S+ 0 0 14 -4,-1.4 4,-2.7 1,-0.2 3,-0.8 0.951 114.5 51.1 -69.0 -46.2 52.2 32.1 -0.6 773 773 A V H 3< S+ 0 0 48 -4,-3.2 4,-0.4 1,-0.3 -1,-0.2 0.534 104.2 61.6 -69.8 -4.8 50.5 35.5 -1.2 774 774 A C H 34 S+ 0 0 1 -3,-0.5 4,-0.4 -4,-0.3 -1,-0.3 0.829 110.7 37.6 -83.0 -38.1 52.7 35.7 -4.3 775 775 A I H S+ 0 0 54 -4,-0.4 4,-1.1 -5,-0.3 -1,-0.2 0.711 109.3 53.4 -77.2 -20.7 47.9 36.8 -5.9 778 778 A T H > S+ 0 0 13 -4,-0.4 4,-0.7 -3,-0.4 5,-0.4 0.959 110.6 41.3 -75.3 -56.9 49.0 35.2 -9.2 779 779 A A H < S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.783 116.5 53.6 -61.1 -27.1 46.1 32.8 -9.7 780 780 A A H < S+ 0 0 80 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.787 109.4 43.9 -81.5 -31.4 43.7 35.6 -8.6 781 781 A L H < S- 0 0 87 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.444 109.3-124.2 -90.3 -1.5 44.9 38.3 -11.0 782 782 A G < + 0 0 28 -4,-0.7 91,-0.2 1,-0.2 -3,-0.1 0.215 60.4 146.0 81.9 -15.1 44.9 35.7 -13.8 783 783 A L - 0 0 29 -5,-0.4 -1,-0.2 -6,-0.2 3,-0.1 0.005 55.0 -88.5 -52.3 159.6 48.6 36.4 -14.6 784 784 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 -0.180 67.0 -52.9 -71.0 166.7 50.7 33.4 -15.8 785 785 A E - 0 0 60 1,-0.1 3,-0.1 106,-0.1 -10,-0.0 0.016 44.6-160.6 -36.0 132.2 52.7 31.0 -13.6 786 786 A A - 0 0 9 1,-0.2 2,-0.3 -3,-0.1 115,-0.2 0.839 67.7 -8.0 -86.8 -37.4 54.9 33.0 -11.2 787 787 A L - 0 0 14 113,-0.1 -1,-0.2 114,-0.0 111,-0.0 -0.871 61.4-128.3-149.7 177.2 57.3 30.0 -10.4 788 788 A I > - 0 0 28 -2,-0.3 4,-1.4 169,-0.1 3,-0.2 -0.835 41.6 -86.2-130.6 168.6 57.9 26.3 -10.8 789 789 A P H >> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.883 125.8 36.9 -41.6 -65.3 58.6 23.4 -8.4 790 790 A V H 3> S+ 0 0 3 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.840 110.6 63.0 -60.9 -33.4 62.5 23.7 -8.3 791 791 A Q H 3> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.754 107.8 44.1 -63.6 -23.6 62.2 27.5 -8.4 792 792 A L H X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.2 3,-1.5 0.992 109.1 42.1 -52.7 -72.4 63.4 27.9 0.0 797 797 A L H 3< S+ 0 0 16 -4,-2.9 5,-0.3 1,-0.3 -1,-0.2 0.674 119.5 46.4 -51.8 -23.5 67.0 26.7 0.5 798 798 A V H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.639 122.6 30.7-100.8 -18.3 68.3 30.2 0.0 799 799 A T H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-1.5 -3,-0.2 0.657 123.3 44.9-110.2 -24.9 66.0 32.1 2.2 800 800 A D S < S+ 0 0 1 -4,-3.5 -2,-0.1 -5,-0.3 -3,-0.1 -0.185 106.5 65.6-113.0 38.0 65.2 29.5 4.9 801 801 A G S >> S- 0 0 3 -5,-0.1 4,-2.4 -3,-0.1 3,-1.3 -0.001 111.5 -14.7-123.3-129.0 68.7 28.2 5.5 802 802 A L H 3> S+ 0 0 51 -5,-0.3 4,-2.2 1,-0.3 5,-0.2 0.830 128.8 62.1 -52.6 -35.3 71.9 29.8 6.9 803 803 A P H 34 S+ 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.899 112.3 37.5 -59.7 -34.1 70.4 33.3 6.6 804 804 A A H X> S+ 0 0 0 -3,-1.3 3,-1.4 2,-0.2 4,-0.5 0.936 114.2 52.6 -78.9 -50.4 67.6 32.2 9.1 805 805 A T H >< S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.3 -3,-0.2 0.830 100.4 65.0 -53.1 -37.3 69.8 30.0 11.4 806 806 A A G >< S+ 0 0 7 -4,-2.2 3,-3.3 -5,-0.3 -1,-0.3 0.819 84.8 72.5 -59.5 -32.4 72.2 33.0 11.7 807 807 A L G X4 S+ 0 0 0 -3,-1.4 3,-3.5 -4,-0.5 -1,-0.3 0.875 83.5 68.9 -50.7 -38.1 69.4 34.9 13.4 808 808 A G G << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.5 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