==== 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 ENDOCYTOSIS 28-JAN-10 2X3X . COMPND 2 MOLECULE: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN N . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Q.MA,Y.RAO,A.VAHEDI-FARIDI,W.SAENGER,V.HAUCKE . 968 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 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 . 5 0.5 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 . 1 0.1 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 . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 588 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 1 0 0 1 0 2 4 2 0 2 1 0 0 0 0 0 0 0 1 0 0 1 1 1 9 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 14 A D 0 0 122 0, 0.0 2,-0.1 0, 0.0 556,-0.1 0.000 360.0 360.0 360.0 -79.2 -32.1 74.2 -64.0 2 15 A S > - 0 0 3 1,-0.1 3,-2.0 553,-0.1 6,-0.3 -0.447 360.0-121.9 -80.6 149.1 -28.3 74.2 -63.7 3 16 A F T 3 S+ 0 0 0 549,-0.4 6,-0.1 1,-0.3 5,-0.1 0.864 115.2 62.3 -45.7 -42.4 -26.4 73.6 -60.6 4 17 A W T 3 S+ 0 0 11 548,-0.2 -1,-0.3 552,-0.2 2,-0.1 0.600 82.8 97.2 -67.6 -15.8 -24.9 77.0 -61.3 5 18 A E S X S- 0 0 54 -3,-2.0 3,-1.2 1,-0.1 4,-0.2 -0.498 96.7 -84.1 -69.9 148.7 -28.3 78.6 -61.0 6 19 A V T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.262 111.5 10.1 -56.7 133.2 -29.0 80.1 -57.6 7 20 A G T > S+ 0 0 26 -3,-0.1 3,-1.9 1,-0.1 -1,-0.2 -0.053 93.4 106.8 93.2 -31.0 -30.2 77.6 -55.0 8 21 A N T X + 0 0 21 -3,-1.2 3,-0.9 1,-0.3 4,-0.3 0.503 54.5 86.0 -69.3 -4.1 -29.6 74.4 -57.1 9 22 A Y T >> + 0 0 20 -4,-0.2 3,-1.2 1,-0.2 4,-0.8 0.723 69.0 90.3 -58.3 -21.9 -26.6 73.4 -54.9 10 23 A K H X> S+ 0 0 130 -3,-1.9 4,-2.4 1,-0.2 3,-1.0 0.805 72.7 61.7 -45.3 -44.3 -29.3 71.8 -52.7 11 24 A R H <> S+ 0 0 74 -3,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.874 102.3 52.2 -58.4 -37.4 -29.2 68.4 -54.5 12 25 A T H <> S+ 0 0 0 -3,-1.2 4,-0.6 -4,-0.3 -1,-0.3 0.760 109.2 51.7 -65.1 -27.1 -25.6 68.0 -53.4 13 26 A V H XX S+ 0 0 12 -3,-1.0 4,-1.1 -4,-0.8 3,-0.8 0.885 103.1 57.5 -75.0 -43.0 -26.8 68.8 -49.8 14 27 A K H >X S+ 0 0 111 -4,-2.4 4,-2.4 1,-0.2 3,-0.7 0.934 96.1 64.4 -50.0 -52.1 -29.5 66.1 -50.0 15 28 A R H 3X S+ 0 0 12 -4,-1.7 4,-2.9 1,-0.3 -1,-0.2 0.836 96.9 57.3 -38.1 -44.7 -26.9 63.4 -50.8 16 29 A I H X S+ 0 0 67 -4,-1.4 4,-3.0 -3,-0.5 3,-0.5 0.979 111.7 50.4 -60.3 -56.4 -29.6 52.6 -41.9 25 38 A D H 3X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.827 111.7 49.2 -47.3 -41.1 -31.4 50.8 -44.9 26 39 A L H 3X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -1,-0.3 0.850 112.5 47.0 -69.5 -36.9 -28.3 48.6 -45.3 27 40 A M H X S+ 0 0 3 -4,-1.2 4,-2.0 2,-0.2 3,-1.0 0.946 106.5 58.0 -71.6 -51.8 -31.2 38.6 -43.3 34 47 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.826 104.6 53.1 -50.4 -36.3 -29.4 37.6 -40.1 35 48 A K H 3X S+ 0 0 163 -4,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.889 107.7 52.3 -63.0 -39.2 -32.8 36.8 -38.6 36 49 A I H X S+ 0 0 25 -4,-1.5 4,-2.3 2,-0.2 3,-1.1 0.996 111.1 40.5 -59.1 -74.9 -34.5 30.6 -38.5 40 53 A Y H 3X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.3 5,-0.2 0.905 116.7 53.5 -36.3 -60.2 -33.3 27.9 -40.9 41 54 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.3 0.821 111.2 46.3 -44.2 -44.0 -30.4 27.3 -38.4 42 55 A Q H XX S+ 0 0 45 -4,-2.2 4,-1.9 -3,-1.1 3,-0.6 0.976 109.7 50.9 -64.9 -57.0 -33.0 26.9 -35.6 43 56 A Q H 3X S+ 0 0 72 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.805 108.2 54.1 -54.7 -36.2 -35.4 24.6 -37.4 44 57 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.3 0.914 106.6 50.5 -64.1 -42.8 -32.5 22.2 -38.3 45 58 A T H < S+ 0 0 9 -4,-2.7 3,-1.4 2,-0.1 5,-0.2 0.947 116.2 51.0 -66.5 -49.9 -34.6 7.1 -34.1 56 69 A E H 3< S+ 0 0 131 -4,-2.2 -2,-0.2 -5,-0.4 -3,-0.2 0.970 117.3 35.4 -52.5 -67.7 -32.8 6.5 -30.8 57 70 A K T 3< S+ 0 0 149 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 0.161 108.1 98.0 -79.1 23.6 -35.8 5.2 -28.8 58 71 A G S < S- 0 0 15 -3,-1.4 -3,-0.1 -5,-0.2 -4,-0.0 -0.756 91.2-100.9-112.5 162.4 -37.1 3.5 -32.0 59 72 A P S S+ 0 0 43 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.557 86.6 106.7 -60.9 -18.9 -36.8 -0.1 -33.2 60 73 A Q + 0 0 4 -5,-0.2 2,-0.3 251,-0.1 -2,-0.2 -0.420 52.5 179.5 -62.8 140.4 -33.9 0.6 -35.7 61 74 A Y > + 0 0 21 -2,-0.1 4,-0.9 4,-0.0 3,-0.3 -0.864 27.2 8.7-139.0 164.8 -30.7 -0.8 -34.3 62 75 A G H > S- 0 0 31 -2,-0.3 4,-1.5 1,-0.2 3,-0.1 -0.201 112.1 -15.4 72.6-147.4 -27.0 -1.2 -35.0 63 76 A S H > S+ 0 0 2 200,-0.3 4,-2.7 1,-0.2 3,-0.4 0.943 133.0 56.0 -62.2 -49.3 -25.0 0.3 -37.8 64 77 A L H > S+ 0 0 1 -3,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.826 105.7 53.1 -56.1 -34.1 -28.0 1.4 -39.8 65 78 A E H X S+ 0 0 47 -4,-0.9 4,-2.8 2,-0.2 -1,-0.3 0.898 110.1 47.1 -66.2 -41.8 -29.3 3.3 -36.8 66 79 A R H X S+ 0 0 126 -4,-1.5 4,-2.8 -3,-0.4 -2,-0.2 0.905 111.4 52.3 -63.0 -42.4 -26.0 5.2 -36.5 67 80 A A H < S+ 0 0 1 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.933 114.1 41.2 -62.5 -49.0 -26.0 5.9 -40.3 68 81 A W H >X S+ 0 0 3 -4,-2.4 3,-2.1 1,-0.2 4,-0.7 0.944 113.9 55.6 -58.5 -48.8 -29.5 7.3 -40.1 69 82 A G H >X S+ 0 0 15 -4,-2.8 3,-1.2 1,-0.3 4,-0.8 0.880 95.6 65.4 -48.6 -44.7 -28.5 9.1 -36.9 70 83 A A H 3X S+ 0 0 18 -4,-2.8 4,-0.9 1,-0.3 -1,-0.3 0.482 90.5 66.9 -63.8 -5.1 -25.5 10.7 -38.7 71 84 A M H <> S+ 0 0 7 -3,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.860 96.8 51.6 -79.6 -41.6 -28.0 12.7 -40.7 72 85 A M H X S+ 0 0 0 -4,-3.6 3,-2.3 2,-0.2 4,-1.5 0.998 111.7 53.8 -55.0 -63.7 -24.9 22.9 -41.0 79 92 A S H 3X S+ 0 0 4 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.780 105.5 54.2 -39.3 -44.1 -27.2 24.8 -38.5 80 93 A E H 3X S+ 0 0 97 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.833 105.9 52.4 -61.1 -37.1 -24.1 25.8 -36.5 81 94 A L H S+ 0 0 62 -4,-2.6 4,-4.5 2,-0.2 5,-0.8 0.985 113.1 48.0 -65.7 -56.0 -23.2 36.4 -35.8 88 101 A S H <>S+ 0 0 29 -4,-2.5 5,-1.6 1,-0.3 4,-0.2 0.723 112.4 51.1 -61.7 -22.4 -20.7 37.6 -38.3 89 102 A L H <>S+ 0 0 1 -4,-2.2 5,-2.1 3,-0.2 -1,-0.3 0.883 124.7 26.7 -72.8 -41.2 -23.6 39.5 -40.0 90 103 A L H <>S+ 0 0 57 -4,-1.7 5,-0.5 -3,-0.4 -2,-0.2 0.825 128.7 38.4 -93.9 -40.6 -24.7 41.2 -36.7 91 104 A N T <5S+ 0 0 108 -4,-4.5 -3,-0.2 -5,-0.2 -2,-0.1 0.762 131.6 22.1 -81.2 -28.8 -21.5 41.3 -34.6 92 105 A E T > - 0 0 66 4,-2.0 3,-1.4 1,-0.1 4,-0.1 -0.789 18.4-119.5-110.4 157.6 -27.5 68.7 -34.3 109 122 A I T 3 S+ 0 0 174 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.912 119.9 45.2 -57.5 -45.0 -29.5 70.0 -31.3 110 123 A M T 3 S- 0 0 155 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 -0.093 128.4-101.0 -89.2 34.1 -32.1 71.4 -33.7 111 124 A G S < S+ 0 0 32 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.1 0.170 82.9 77.6 64.4 170.4 -32.0 68.1 -35.7 112 125 A G S S- 0 0 30 -4,-0.1 -4,-2.0 -3,-0.1 2,-0.5 -0.181 84.0 -58.8 80.9 179.9 -30.1 67.4 -38.9 113 126 A F B > -A 107 0A 19 -6,-0.2 4,-3.0 1,-0.1 5,-0.4 -0.886 19.3-142.5-115.2 125.9 -26.4 66.9 -39.4 114 127 A K H > S+ 0 0 131 -8,-2.4 4,-1.2 -2,-0.5 -1,-0.1 0.798 110.6 54.4 -37.1 -38.4 -23.4 69.0 -38.5 115 128 A E H > S+ 0 0 43 -9,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.971 112.9 37.8 -64.7 -56.8 -22.1 67.6 -41.8 116 129 A T H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.955 113.2 55.0 -63.9 -52.9 -25.0 68.6 -43.9 117 130 A K H X S+ 0 0 87 -4,-3.0 4,-3.0 1,-0.3 -1,-0.2 0.834 109.6 48.4 -50.2 -38.6 -25.7 72.0 -42.3 118 131 A E H X S+ 0 0 140 -4,-1.2 4,-2.6 -5,-0.4 -1,-0.3 0.869 109.7 52.0 -72.3 -35.9 -22.0 73.0 -42.9 119 132 A A H X S+ 0 0 12 -4,-1.7 4,-1.7 -3,-0.4 -2,-0.2 0.911 112.7 47.0 -60.7 -42.8 -22.4 71.8 -46.6 120 133 A E H X S+ 0 0 38 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.967 112.9 47.2 -60.3 -55.9 -25.5 74.0 -46.7 121 134 A D H X S+ 0 0 67 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.890 109.1 54.7 -55.7 -44.9 -23.7 77.0 -45.1 122 135 A G H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.889 111.6 43.6 -58.0 -45.3 -20.7 76.7 -47.4 123 136 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.937 113.9 50.3 -65.3 -48.9 -22.8 76.8 -50.5 124 137 A R H X S+ 0 0 121 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.907 115.0 44.2 -56.9 -41.5 -24.9 79.7 -49.2 125 138 A K H < S+ 0 0 166 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.913 113.5 48.4 -71.1 -44.8 -21.8 81.7 -48.3 126 139 A A H < S+ 0 0 23 -4,-2.4 4,-0.3 1,-0.2 85,-0.2 0.699 116.9 44.2 -69.0 -21.1 -19.9 81.0 -51.5 127 140 A Q H X S+ 0 0 12 -4,-1.7 4,-3.2 -5,-0.1 5,-0.3 0.574 88.0 94.3 -96.8 -13.6 -22.9 81.9 -53.6 128 141 A K H X S+ 0 0 102 -4,-0.9 4,-2.1 -3,-0.4 5,-0.2 0.892 87.0 41.8 -50.3 -53.0 -23.9 85.1 -51.6 129 142 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.974 119.6 43.0 -64.0 -53.4 -22.1 87.7 -53.7 130 143 A W H > S+ 0 0 4 -4,-0.3 4,-1.9 1,-0.2 3,-0.4 0.949 114.4 50.5 -50.9 -56.1 -23.0 86.2 -57.0 131 144 A A H X S+ 0 0 26 -4,-3.2 4,-0.9 1,-0.3 -1,-0.2 0.821 112.1 49.2 -54.2 -35.0 -26.6 85.6 -55.9 132 145 A K H X S+ 0 0 31 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.3 0.845 106.7 55.1 -73.1 -37.3 -26.8 89.2 -54.7 133 146 A K H X S+ 0 0 53 -4,-2.3 4,-2.2 -3,-0.4 -2,-0.2 0.821 104.4 54.1 -64.1 -34.1 -25.4 90.5 -58.1 134 147 A M H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.835 100.8 59.6 -71.5 -32.2 -28.1 88.8 -60.0 135 148 A K H X S+ 0 0 111 -4,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.874 112.4 39.2 -63.4 -40.2 -30.8 90.5 -57.9 136 149 A E H X S+ 0 0 16 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.861 112.5 58.1 -71.3 -40.9 -29.5 93.8 -59.0 137 150 A L H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 106.6 47.9 -58.2 -43.4 -28.9 92.5 -62.6 138 151 A E H X S+ 0 0 78 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.935 115.3 41.9 -65.3 -50.1 -32.6 91.6 -63.0 139 152 A A H X S+ 0 0 56 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.870 114.2 53.4 -67.8 -38.4 -34.0 94.9 -61.8 140 153 A A H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 53,-0.3 0.948 112.5 45.0 -54.3 -51.7 -31.4 96.8 -63.7 141 154 A K H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 113.2 47.2 -61.4 -54.5 -32.4 94.9 -66.9 142 155 A K H X S+ 0 0 126 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.897 112.4 53.7 -54.6 -39.6 -36.1 95.3 -66.4 143 156 A A H >X S+ 0 0 44 -4,-2.4 4,-1.7 -5,-0.2 3,-0.8 0.952 108.0 48.6 -55.9 -54.6 -35.4 99.0 -65.7 144 157 A Y H 3X S+ 0 0 20 -4,-2.7 4,-1.7 45,-0.3 -2,-0.2 0.887 107.9 54.6 -53.4 -45.5 -33.5 99.3 -69.0 145 158 A H H 3X S+ 0 0 42 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.707 104.7 55.2 -68.1 -23.3 -36.3 97.7 -70.9 146 159 A L H X S+ 0 0 8 -4,-1.7 3,-0.9 2,-0.2 4,-0.8 0.985 110.6 43.5 -53.5 -69.4 -36.8 101.6 -74.2 149 162 A K H >X S+ 0 0 117 -4,-1.9 4,-2.2 1,-0.3 3,-0.5 0.819 114.0 54.6 -48.8 -35.3 -40.5 100.8 -74.5 150 163 A E H 3X S+ 0 0 88 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.854 109.8 45.2 -69.3 -36.4 -41.1 104.4 -73.2 151 164 A E H << S+ 0 0 42 -4,-1.9 -1,-0.2 -3,-0.9 -2,-0.2 0.386 111.2 55.1 -87.4 1.2 -38.9 105.9 -75.9 152 165 A R H S+ 0 0 59 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.877 114.4 49.4 -80.0 -42.5 -41.3 108.7 -80.2 156 169 A T H X S+ 0 0 58 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.769 111.3 51.1 -67.8 -27.4 -44.1 107.1 -82.2 157 170 A R H < S+ 0 0 186 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.863 115.2 42.1 -76.0 -39.6 -46.6 109.4 -80.4 158 171 A E H >< S+ 0 0 41 -4,-1.2 3,-2.3 -5,-0.2 -2,-0.2 0.960 111.3 55.1 -64.0 -54.7 -44.4 112.5 -81.3 159 172 A M H 3< S+ 0 0 106 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.711 93.0 72.1 -56.6 -25.8 -43.8 111.2 -84.9 160 173 A N T 3< S+ 0 0 87 -4,-0.8 2,-1.3 -5,-0.2 -1,-0.3 0.765 75.5 93.2 -59.2 -28.1 -47.5 111.0 -85.4 161 174 A S < + 0 0 27 -3,-2.3 -1,-0.1 -4,-0.3 -4,-0.0 -0.573 44.6 137.4 -75.4 93.4 -47.7 114.8 -85.5 162 175 A K S S- 0 0 149 -2,-1.3 2,-0.4 1,-0.0 -1,-0.1 0.761 82.2 -18.7 -95.5 -92.4 -47.3 115.8 -89.2 163 176 A T S S+ 0 0 146 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.693 93.8 155.2-118.2 73.4 -49.7 118.6 -90.3 164 177 A E - 0 0 114 -2,-0.4 -3,-0.0 3,-0.2 -4,-0.0 -0.656 51.0-139.0-108.1 156.3 -52.2 118.4 -87.5 165 178 A Q S S+ 0 0 185 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.836 107.4 49.3 -79.0 -37.5 -54.7 120.8 -85.9 166 179 A S S S+ 0 0 86 1,-0.2 2,-2.9 2,-0.0 -1,-0.1 0.883 92.5 81.6 -62.9 -41.1 -53.9 119.6 -82.3 167 180 A V + 0 0 24 4,-0.1 -1,-0.2 2,-0.1 -3,-0.2 -0.323 66.0 178.9 -75.0 66.8 -50.2 119.9 -82.9 168 181 A T >> - 0 0 44 -2,-2.9 2,-2.4 1,-0.1 3,-2.2 -0.566 40.8-113.8 -72.0 121.2 -49.9 123.7 -82.3 169 182 A 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S+ 0 0 13 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.934 113.8 53.1 -65.0 -50.0 -39.5 -38.3 -21.5 473 210 B L H X S+ 0 0 30 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.823 107.9 52.4 -55.5 -36.3 -36.4 -36.2 -20.7 474 211 B E H >X S+ 0 0 105 -4,-2.1 4,-1.4 2,-0.2 3,-0.7 0.947 109.5 47.1 -63.9 -51.8 -34.3 -38.5 -23.0 475 212 B D H 3X S+ 0 0 60 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.805 102.7 64.0 -63.9 -31.6 -36.7 -38.0 -26.0 476 213 B V H 3< S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.889 108.0 43.2 -56.7 -39.0 -36.7 -34.2 -25.4 477 214 B G H << S+ 0 0 31 -4,-1.0 3,-0.2 -3,-0.7 -2,-0.2 0.780 108.6 55.4 -79.4 -31.1 -33.0 -34.2 -26.2 478 215 B K H < S+ 0 0 81 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.870 111.4 46.0 -68.3 -35.3 -33.2 -36.6 -29.2 479 216 B T S X S+ 0 0 39 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.580 90.2 90.7 -81.7 -11.7 -35.7 -34.2 -30.8 480 217 B T H > S+ 0 0 15 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.871 80.8 52.6 -55.6 -47.5 -33.7 -31.1 -30.0 481 218 B P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.938 109.4 48.6 -60.5 -47.5 -31.6 -30.9 -33.2 482 219 B Q H > S+ 0 0 156 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.843 110.6 56.1 -55.2 -33.8 -34.7 -31.1 -35.5 483 220 B Y H X S+ 0 0 10 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.947 111.9 38.6 -64.8 -51.8 -36.1 -28.3 -33.2 484 221 B M H >X S+ 0 0 13 -4,-2.4 4,-4.3 2,-0.2 3,-0.5 0.975 115.6 51.9 -62.6 -55.2 -33.2 -25.9 -33.7 485 222 B E H 3X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.890 111.2 49.7 -48.7 -45.7 -32.8 -26.7 -37.4 486 223 B G H 3X S+ 0 0 19 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.3 0.841 116.1 40.4 -62.8 -38.4 -36.5 -26.1 -37.9 487 224 B M H X S+ 0 0 15 -4,-0.9 4,-1.0 -3,-0.4 3,-0.7 0.951 113.7 51.9 -75.3 -54.2 -37.6 -20.1 -40.3 491 228 B F H >X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 3,-1.1 0.869 103.2 60.3 -46.8 -46.7 -35.5 -17.4 -38.6 492 229 B E H 3X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.893 97.7 57.0 -50.5 -48.8 -33.2 -17.3 -41.7 493 230 B Q H X S+ 0 0 4 -4,-1.8 4,-1.5 1,-0.2 3,-1.0 0.972 109.9 46.9 -55.0 -55.1 -26.9 12.7 -48.5 514 251 B R H 3< S+ 0 0 132 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.891 111.2 51.8 -54.9 -43.9 -26.1 13.6 -52.1 515 252 B H H 3< S+ 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.711 113.9 43.6 -67.8 -23.0 -29.4 15.5 -52.4 516 253 B L H << S+ 0 0 5 -4,-1.4 2,-2.0 -3,-1.0 -1,-0.2 0.713 85.8 103.2 -90.2 -21.0 -28.7 17.6 -49.3 517 254 B N < + 0 0 15 -4,-1.5 3,-0.5 -3,-0.4 4,-0.3 -0.369 30.8 158.3 -77.8 78.1 -25.0 18.3 -50.1 518 255 B L > + 0 0 7 -2,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.712 62.7 77.8 -71.8 -15.6 -25.0 21.9 -51.4 519 256 B A T 3 S+ 0 0 8 1,-0.3 -1,-0.2 -271,-0.2 -270,-0.2 0.921 97.8 40.6 -59.8 -47.3 -21.3 22.2 -50.5 520 257 B E T 3 S+ 0 0 118 -3,-0.5 2,-0.3 -272,-0.1 -1,-0.3 0.416 90.3 117.8 -82.1 0.2 -20.1 20.3 -53.6 521 258 B N <> - 0 0 50 -3,-1.0 4,-1.6 -4,-0.3 5,-0.1 -0.552 52.6-158.3 -72.0 129.6 -22.7 22.0 -55.8 522 259 B S H > S+ 0 0 97 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.888 91.6 59.4 -75.1 -43.5 -21.1 24.1 -58.6 523 260 B S H > S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.810 107.1 49.3 -55.7 -30.8 -24.2 26.3 -59.1 524 261 B Y H > S+ 0 0 7 2,-0.2 4,-1.2 -6,-0.2 3,-0.4 0.962 108.5 50.8 -70.8 -55.1 -23.8 27.3 -55.4 525 262 B M H X S+ 0 0 73 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.846 110.6 52.4 -45.1 -42.5 -20.1 28.1 -55.7 526 263 B H H X S+ 0 0 97 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.866 97.9 63.5 -67.2 -41.3 -21.1 30.3 -58.7 527 264 B V H X S+ 0 0 3 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.884 113.3 35.0 -49.2 -43.4 -23.7 32.2 -56.9 528 265 B Y H X S+ 0 0 4 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.754 113.2 55.9 -92.2 -25.8 -21.1 33.7 -54.6 529 266 B R H X S+ 0 0 156 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.852 113.2 46.5 -65.0 -34.1 -18.3 33.9 -57.1 530 267 B E H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 107.9 53.5 -72.5 -44.3 -20.8 36.0 -59.1 531 268 B L H X S+ 0 0 2 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.792 104.5 57.6 -63.2 -29.7 -21.8 38.1 -56.1 532 269 B E H X S+ 0 0 49 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.918 107.3 47.6 -66.2 -44.8 -18.1 39.0 -55.5 533 270 B Q H X S+ 0 0 130 -4,-1.2 4,-3.4 2,-0.2 5,-0.3 0.993 106.8 55.0 -55.6 -64.8 -17.9 40.4 -59.0 534 271 B A H X S+ 0 0 40 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.841 115.9 40.2 -38.9 -48.8 -21.0 42.5 -58.8 535 272 B I H >< S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.2 -1,-0.2 0.983 115.6 48.5 -64.9 -59.7 -19.5 44.1 -55.6 536 273 B R H 3< S+ 0 0 139 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.782 104.4 63.4 -52.6 -31.5 -15.9 44.4 -56.9 537 274 B G H 3< S+ 0 0 60 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.723 75.6 111.3 -65.1 -23.8 -17.3 45.9 -60.1 538 275 B A << - 0 0 11 -3,-2.4 2,-0.5 -4,-0.5 -183,-0.0 -0.354 57.8-155.5 -56.8 124.6 -18.6 48.9 -58.2 539 276 B D > - 0 0 67 1,-0.2 4,-1.0 -2,-0.1 -182,-0.2 -0.937 9.5-161.8-108.1 125.6 -16.6 51.9 -59.1 540 277 B A H > S+ 0 0 22 -2,-0.5 4,-1.3 2,-0.2 3,-0.5 0.989 89.3 36.6 -66.0 -61.0 -16.4 54.8 -56.6 541 278 B Q H >> S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.920 104.9 67.5 -64.3 -49.9 -15.3 57.6 -58.9 542 279 B E H 3> S+ 0 0 92 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.861 108.6 41.3 -35.1 -50.2 -17.3 56.5 -62.0 543 280 B D H 3X S+ 0 0 4 -4,-1.0 4,-1.3 -3,-0.5 -1,-0.3 0.848 111.8 54.8 -71.3 -36.6 -20.4 57.4 -60.0 544 281 B L H S+ 0 0 13 -4,-1.3 4,-3.1 2,-0.2 5,-1.4 0.964 104.6 55.3 -71.2 -52.0 -22.7 63.4 -60.2 548 285 B R H <5S+ 0 0 74 -4,-2.0 6,-3.0 1,-0.2 7,-0.7 0.878 118.8 35.1 -47.3 -43.4 -20.5 66.4 -61.1 549 286 B S H <5S+ 0 0 66 -4,-1.9 -1,-0.2 5,-0.3 -2,-0.2 0.823 124.1 39.6 -84.4 -35.3 -21.9 66.4 -64.6 550 287 B T H <5S+ 0 0 48 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.857 139.2 6.3 -82.7 -36.7 -25.6 65.5 -64.0 551 288 B S T <5S+ 0 0 24 -4,-3.1 -539,-0.2 -5,-0.2 -3,-0.2 0.498 122.9 45.0-122.2 -9.7 -26.2 67.4 -60.8 552 289 B G S > S+ 0 0 27 -2,-2.4 3,-0.9 -4,-0.2 -1,-0.2 0.248 91.3 116.6 130.1 -11.7 -13.1 -35.1 -27.6 576 21 C N T > + 0 0 38 -6,-0.3 3,-0.5 1,-0.3 4,-0.2 0.193 50.8 93.8 -82.0 21.6 -15.1 -36.5 -24.6 577 22 C Y T >> + 0 0 10 1,-0.2 3,-0.9 -4,-0.2 4,-0.6 0.455 60.6 95.3 -80.1 -1.0 -16.9 -39.1 -26.7 578 23 C K H X> + 0 0 126 -3,-0.9 4,-2.9 1,-0.2 3,-0.7 0.774 69.9 64.2 -62.5 -30.8 -14.1 -41.5 -25.7 579 24 C R H <> S+ 0 0 125 -3,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.826 97.3 55.9 -67.5 -31.8 -16.0 -43.0 -22.7 580 25 C T H <> S+ 0 0 16 -3,-0.9 4,-0.9 2,-0.2 -1,-0.3 0.713 112.6 43.7 -70.9 -22.1 -18.7 -44.5 -25.0 581 26 C V H X S+ 0 0 16 -4,-3.4 4,-1.7 1,-0.2 3,-1.0 0.948 112.0 48.4 -67.7 -52.5 -17.6 -76.1 -5.7 606 51 C K H 3X S+ 0 0 84 -4,-3.4 4,-2.4 -5,-0.3 -2,-0.2 0.772 102.2 67.1 -56.2 -28.9 -15.6 -79.2 -7.0 607 52 C A H 3X S+ 0 0 44 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.832 103.1 43.7 -63.9 -36.2 -13.3 -78.7 -3.9 608 53 C Y H < S+ 0 0 88 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.844 116.4 38.3 -48.8 -46.1 -13.3 -97.7 8.7 623 68 C I H 3< S+ 0 0 4 -4,-1.7 5,-0.3 1,-0.2 -1,-0.2 0.916 114.4 55.0 -71.3 -44.6 -16.9 -98.6 9.7 624 69 C E T 3< S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.015 98.9 64.6 -84.2 26.4 -17.0 -101.7 7.4 625 70 C K S < S- 0 0 172 1,-0.9 -1,-0.2 -3,-0.8 -4,-0.0 -0.465 107.1 -86.1-137.5 64.5 -13.9 -103.2 9.0 626 71 C G S S+ 0 0 37 2,-0.3 -1,-0.9 -3,-0.2 2,-0.2 0.009 90.7 87.7 58.7-177.7 -15.3 -103.7 12.5 627 72 C P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.876 85.2 74.9 -91.0 -1.8 -16.1 -103.1 15.3 628 73 C Q - 0 0 69 -5,-0.3 -2,-0.3 -2,-0.2 2,-0.2 -0.578 67.0-174.4 -68.4 127.3 -19.6 -101.7 14.7 629 74 C Y > - 0 0 84 -2,-0.3 4,-0.6 -3,-0.0 3,-0.1 -0.668 33.8 -1.3-117.8 168.4 -21.9 -104.6 13.8 630 75 C G H >> S- 0 0 20 -2,-0.2 4,-1.0 2,-0.2 3,-0.7 -0.031 112.6 -11.7 60.7-146.4 -25.5 -105.0 12.7 631 76 C S H >> S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 3,-1.7 0.967 126.4 56.8 -57.5 -67.0 -28.1 -102.2 12.1 632 77 C L H 3> S+ 0 0 67 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.645 102.2 61.9 -47.5 -19.3 -26.4 -99.1 13.6 633 78 C E H X S+ 0 0 106 -4,-1.5 3,-1.0 -5,-0.3 4,-0.7 0.841 110.8 57.5 -77.1 -35.5 -23.8 -94.9 10.3 637 82 C G H 3X S+ 0 0 20 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.622 91.0 73.4 -70.9 -15.6 -23.0 -96.1 6.7 638 83 C A H 3X S+ 0 0 12 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.849 91.6 57.4 -60.3 -37.1 -26.0 -94.0 5.6 639 84 C M H <> S+ 0 0 82 -3,-1.0 4,-2.4 -4,-0.4 5,-0.2 0.921 98.1 58.9 -62.6 -45.8 -23.9 -90.9 6.2 640 85 C M H X S+ 0 0 1 -4,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.907 110.0 43.2 -48.8 -47.2 -21.1 -92.1 3.9 641 86 C T H X S+ 0 0 60 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.779 107.1 59.1 -77.0 -25.1 -23.5 -92.2 1.0 642 87 C E H X S+ 0 0 30 -4,-1.6 4,-2.9 -3,-0.2 5,-0.3 0.947 106.3 49.4 -65.0 -44.4 -25.2 -88.9 1.8 643 88 C A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.907 113.1 48.9 -55.5 -41.8 -21.8 -87.3 1.5 644 89 C D H X S+ 0 0 50 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.908 111.5 46.4 -65.1 -46.9 -21.6 -89.1 -1.9 645 90 C K H X S+ 0 0 79 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.908 116.7 45.0 -65.6 -40.3 -25.0 -88.1 -3.1 646 91 C V H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 3,-0.3 0.953 110.4 53.7 -65.2 -50.1 -24.3 -84.5 -2.1 647 92 C S H X S+ 0 0 4 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.762 106.9 55.1 -53.3 -28.7 -20.8 -84.6 -3.6 648 93 C E H X S+ 0 0 96 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.908 103.7 52.7 -70.0 -45.0 -22.6 -85.7 -6.8 649 94 C L H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.864 109.9 47.8 -63.4 -37.3 -24.9 -82.6 -6.8 650 95 C H H X S+ 0 0 26 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.867 109.1 53.9 -69.5 -36.9 -21.9 -80.2 -6.6 651 96 C Q H X S+ 0 0 36 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.859 109.9 48.2 -63.1 -35.8 -20.1 -82.1 -9.3 652 97 C E H X S+ 0 0 86 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.935 108.0 54.2 -66.6 -47.3 -23.3 -81.6 -11.4 653 98 C V H X S+ 0 0 5 -4,-2.3 4,-3.5 2,-0.2 -2,-0.2 0.916 113.1 44.6 -49.8 -48.6 -23.3 -77.9 -10.5 654 99 C K H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 5,-0.4 0.967 113.4 47.3 -59.4 -59.6 -19.7 -77.7 -11.8 655 100 C N H X S+ 0 0 74 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.761 118.8 43.8 -57.0 -26.9 -20.3 -79.7 -15.0 656 101 C S H X>S+ 0 0 24 -4,-2.6 5,-1.8 3,-0.2 4,-1.6 0.902 110.8 54.5 -77.7 -47.1 -23.3 -77.4 -15.4 657 102 C L H <>S+ 0 0 2 -4,-3.5 5,-1.4 -5,-0.3 -2,-0.2 0.753 122.6 24.8 -60.9 -30.1 -21.4 -74.3 -14.5 658 103 C L H <>S+ 0 0 48 -4,-2.1 5,-1.2 3,-0.2 -1,-0.2 0.856 122.4 45.9-102.2 -52.2 -18.6 -74.8 -17.1 659 104 C N H <5S+ 0 0 108 -4,-0.8 -3,-0.2 -5,-0.4 -2,-0.1 0.815 132.0 17.1 -67.9 -31.1 -20.0 -77.0 -19.9 660 105 C E T <5S+ 0 0 119 -4,-1.6 -3,-0.2 -5,-0.3 -1,-0.1 0.855 129.9 38.3-104.1 -58.0 -23.3 -75.0 -20.3 661 106 C D T >> S+ 0 0 64 -3,-1.6 4,-2.7 2,-0.1 -1,-0.2 0.822 109.8 40.1 -91.3 -51.2 -22.5 -69.4 -23.5 665 110 C V H X S+ 0 0 2 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.976 116.9 50.5 -57.7 -57.4 -20.5 -66.3 -22.6 666 111 C K H X S+ 0 0 107 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.862 115.0 44.5 -45.8 -43.0 -17.5 -67.5 -24.4 667 112 C N H > S+ 0 0 90 -5,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.843 113.2 48.3 -76.9 -36.7 -19.6 -68.2 -27.5 668 113 C W H X S+ 0 0 49 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.868 109.1 54.2 -69.8 -40.2 -21.6 -64.9 -27.4 669 114 C Q H X S+ 0 0 17 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.913 110.1 47.6 -56.8 -47.1 -18.3 -62.9 -27.0 670 115 C K H < S+ 0 0 162 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.851 118.1 41.0 -60.4 -39.3 -17.0 -64.6 -30.2 671 116 C D H < S+ 0 0 119 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.862 118.4 42.6 -84.4 -40.0 -20.3 -64.0 -32.1 672 117 C A H < S+ 0 0 21 -4,-3.3 2,-0.2 -5,-0.1 -3,-0.2 0.954 115.1 48.0 -72.0 -54.0 -21.0 -60.4 -31.0 673 118 C Y S < S- 0 0 6 -4,-1.8 2,-0.4 -5,-0.3 8,-0.0 -0.550 70.6-154.2 -89.6 154.9 -17.5 -59.0 -31.2 674 119 C H - 0 0 88 -2,-0.2 8,-2.0 2,-0.0 9,-0.3 -0.991 16.1-126.3-134.9 124.8 -15.1 -59.4 -34.1 675 120 C K B -C 681 0C 128 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.388 11.9-158.8 -72.1 144.2 -11.3 -59.3 -33.9 676 121 C Q - 0 0 56 4,-1.1 -1,-0.0 3,-0.4 -2,-0.0 -0.930 9.8-151.6-123.7 100.8 -9.3 -57.0 -36.1 677 122 C I S S+ 0 0 174 -2,-0.5 2,-0.8 1,-0.3 -1,-0.1 0.793 97.2 45.5 -45.0 -38.9 -5.7 -58.4 -36.3 678 123 C M S S+ 0 0 136 -3,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.863 124.4 12.1-104.4 92.1 -4.5 -54.8 -36.9 679 124 C G S S- 0 0 32 -2,-0.8 -3,-0.4 1,-0.1 3,-0.1 -0.671 89.9 -80.7 129.4 175.0 -6.5 -53.0 -34.1 680 125 C G S S- 0 0 42 1,-0.3 -4,-1.1 -2,-0.2 2,-0.4 0.930 91.0 -26.3 -75.7 -92.6 -8.6 -53.7 -31.1 681 126 C F B >> -C 675 0C 27 -6,-0.2 4,-3.0 1,-0.1 3,-0.7 -0.984 45.6-131.6-129.4 143.8 -12.1 -54.6 -32.1 682 127 C K H 3> S+ 0 0 104 -8,-2.0 4,-2.1 -2,-0.4 5,-0.3 0.796 111.8 54.3 -57.3 -31.7 -14.2 -53.7 -35.2 683 128 C E H 3> S+ 0 0 36 -9,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.746 113.4 41.0 -76.6 -27.5 -17.1 -52.8 -32.9 684 129 C T H <> S+ 0 0 14 -3,-0.7 4,-1.7 2,-0.1 -2,-0.2 0.868 119.5 44.4 -81.1 -44.9 -14.8 -50.4 -30.9 685 130 C K H X S+ 0 0 61 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.942 113.5 48.1 -66.7 -51.8 -13.0 -48.9 -33.9 686 131 C E H X S+ 0 0 140 -4,-2.1 4,-2.2 -5,-0.2 -3,-0.2 0.919 114.0 45.6 -57.3 -51.3 -16.1 -48.5 -36.2 687 132 C A H X S+ 0 0 16 -4,-0.6 4,-2.0 -5,-0.3 -1,-0.2 0.910 112.1 53.5 -57.6 -44.3 -18.2 -46.7 -33.5 688 133 C E H X S+ 0 0 41 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.899 108.4 49.5 -57.7 -45.5 -15.1 -44.6 -32.6 689 134 C D H X S+ 0 0 87 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.918 107.3 54.4 -59.9 -47.2 -14.7 -43.5 -36.3 690 135 C G H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 110.8 45.4 -55.9 -46.3 -18.4 -42.5 -36.6 691 136 C F H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.936 113.5 50.4 -58.8 -49.7 -18.2 -40.2 -33.6 692 137 C R H < S+ 0 0 140 -4,-2.2 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190 C D T 3 S+ 0 0 76 -5,-0.4 4,-0.4 1,-0.2 -2,-0.1 0.063 81.4 79.5 -91.1 25.1 -3.0 8.6 -33.8 746 191 C K T 3> S+ 0 0 44 -4,-0.2 4,-2.7 -24,-0.1 3,-0.4 0.752 85.6 62.7 -83.4 -35.9 -2.1 4.9 -33.1 747 192 C V H <> S+ 0 0 15 -3,-1.0 4,-0.6 1,-0.2 -2,-0.2 0.421 89.8 71.8 -71.8 2.1 -5.6 4.5 -31.6 748 193 C D H > S+ 0 0 102 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.943 114.6 20.3 -75.9 -57.4 -7.1 5.3 -35.0 749 194 C K H > S+ 0 0 144 -3,-0.4 4,-3.0 -4,-0.4 5,-0.2 0.849 121.0 63.6 -77.3 -38.4 -6.1 2.1 -36.6 750 195 C C H X S+ 0 0 15 -4,-2.7 4,-1.3 2,-0.2 -31,-0.3 0.858 106.4 44.5 -53.8 -39.9 -5.7 0.3 -33.3 751 196 C R H X S+ 0 0 112 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.905 115.1 47.3 -70.6 -43.9 -9.5 0.8 -32.6 752 197 C Q H X S+ 0 0 96 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.772 107.8 57.2 -67.3 -26.8 -10.3 -0.3 -36.2 753 198 C D H X S+ 0 0 58 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.862 107.8 48.0 -67.5 -36.7 -7.9 -3.2 -35.6 754 199 C V H X S+ 0 0 2 -4,-1.3 4,-1.3 -5,-0.2 -2,-0.2 0.847 116.1 43.6 -68.0 -36.4 -10.2 -4.1 -32.6 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1,-0.2 -2,-0.2 0.857 111.4 47.6 -55.9 -39.2 -25.6 -31.1 -37.5 775 220 C Y H X S+ 0 0 10 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.2 0.883 117.9 43.1 -68.1 -38.3 -23.0 -31.8 -34.8 776 221 C M H >X S+ 0 0 27 -4,-2.9 4,-2.5 2,-0.2 3,-1.1 0.993 114.7 43.4 -72.0 -63.0 -25.7 -32.9 -32.4 777 222 C E H 3X S+ 0 0 72 -4,-3.0 4,-1.2 1,-0.3 -3,-0.2 0.811 114.6 54.9 -57.0 -29.5 -27.9 -35.1 -34.5 778 223 C G H 3X S+ 0 0 20 -4,-1.2 4,-1.0 -5,-0.5 -1,-0.3 0.822 109.3 44.6 -70.4 -34.6 -24.7 -36.7 -36.0 779 224 C M H X S+ 0 0 55 -4,-2.0 4,-1.6 2,-0.2 3,-0.9 0.951 105.0 51.9 -68.6 -50.5 -24.4 -43.0 -29.8 784 229 C E H 3X S+ 0 0 63 -4,-3.5 4,-1.6 1,-0.3 -1,-0.2 0.829 108.2 54.9 -56.2 -31.6 -27.9 -44.6 -30.3 785 230 C Q H 3X S+ 0 0 98 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.3 0.818 104.9 52.9 -68.9 -31.7 -26.0 -47.4 -32.1 786 231 C C H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 3,-0.8 0.931 112.2 49.3 -64.5 -48.4 -24.7 -52.3 -25.0 791 236 C E H 3X S+ 0 0 120 -4,-3.3 4,-3.6 1,-0.3 5,-0.3 0.943 104.3 58.7 -53.6 -51.4 -28.4 -53.3 -24.4 792 237 C K H 3X S+ 0 0 128 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.3 0.737 110.3 45.4 -54.5 -26.3 -27.9 -56.5 -26.4 793 238 C R H > S- 0 0 60 -4,-0.4 3,-1.9 1,-0.2 4,-0.5 -0.706 77.9-144.3 -77.6 124.6 -33.9 -80.5 -7.8 814 259 C S H 3> S+ 0 0 64 -2,-0.5 4,-3.0 1,-0.3 5,-0.3 0.812 88.9 92.6 -55.3 -29.2 -35.7 -82.3 -4.9 815 260 C S H 3> S+ 0 0 59 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.752 85.2 50.4 -33.7 -36.3 -32.8 -84.8 -5.4 816 261 C Y H X> S+ 0 0 85 -3,-1.9 4,-1.0 -6,-0.4 3,-0.8 0.978 112.1 43.7 -66.1 -59.2 -31.1 -82.7 -2.6 817 262 C M H 3< S+ 0 0 89 -4,-0.5 4,-0.3 -7,-0.3 -2,-0.2 0.787 109.2 60.6 -57.1 -31.4 -34.1 -82.9 -0.3 818 263 C H H >X S+ 0 0 81 -4,-3.0 4,-2.0 1,-0.2 3,-1.2 0.890 96.5 60.2 -61.6 -41.2 -34.5 -86.6 -1.1 819 264 C V H S+ 0 0 137 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.808 107.9 47.4 -85.3 -42.2 -35.0 -88.1 3.8 822 267 C E H X S+ 0 0 100 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.860 109.5 54.0 -61.5 -39.4 -33.1 -91.3 3.0 823 268 C L H X S+ 0 0 22 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.932 113.7 40.9 -63.5 -46.3 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