==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-11 3SQ3 . COMPND 2 MOLECULE: TYROSYL-DNA PHOSPHODIESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.GAJEWSKI,S.W.WHITE . 1693 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1077 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 251 14.8 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 109 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.1 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 8 19 7 4 0 4 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 12 4 0 4 8 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 . 4 12 8 9 11 4 4 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 . 8 4 0 0 0 0 4 0 4 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 79 A G 0 0 97 0, 0.0 136,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 177.8 -2.9 -18.8 -4.3 2 80 A A - 0 0 28 178,-0.2 2,-0.3 134,-0.1 133,-0.2 -0.420 360.0-170.3 -74.0 153.8 -0.7 -21.9 -4.3 3 81 A V E -A 134 0A 51 131,-2.2 131,-2.7 -2,-0.1 2,-0.5 -1.000 22.4-134.8-151.0 144.6 0.8 -22.6 -0.9 4 82 A F E -A 133 0A 3 -2,-0.3 2,-0.3 129,-0.2 129,-0.2 -0.883 27.0-176.2 -96.5 137.8 3.4 -24.7 0.8 5 83 A K E -A 132 0A 58 127,-2.3 127,-2.8 -2,-0.5 2,-0.3 -0.959 25.9-121.8-131.4 152.2 2.5 -26.4 4.1 6 84 A L E -Ab 131 18A 10 11,-1.8 13,-1.9 -2,-0.3 2,-0.3 -0.700 36.7-113.7 -84.6 135.6 4.4 -28.6 6.5 7 85 A M E - b 0 19A 3 123,-3.2 123,-0.3 -2,-0.3 13,-0.2 -0.553 27.1-122.3 -71.0 128.7 2.8 -32.1 7.1 8 86 A K - 0 0 85 11,-3.4 2,-0.4 -2,-0.3 13,-0.2 -0.405 27.8-148.9 -62.6 148.6 1.5 -32.6 10.6 9 87 A S > - 0 0 3 1,-0.1 4,-2.0 -2,-0.1 117,-0.1 -0.974 18.5-137.0-124.9 139.0 3.1 -35.6 12.3 10 88 A D T 4 S+ 0 0 118 -2,-0.4 -1,-0.1 1,-0.2 116,-0.1 0.652 109.3 40.5 -62.9 -16.0 1.5 -38.0 14.8 11 89 A F T 4 S+ 0 0 53 115,-0.3 -1,-0.2 1,-0.0 3,-0.1 0.818 117.7 41.2-100.0 -37.2 4.8 -37.8 16.8 12 90 A Y T 4 S+ 0 0 10 114,-0.2 2,-0.7 1,-0.2 -2,-0.2 0.753 112.4 51.8 -88.0 -21.4 5.8 -34.1 16.5 13 91 A E < + 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 314,-0.0 -0.883 58.7 158.5-119.6 95.4 2.4 -32.4 17.0 14 92 A R 0 0 161 -2,-0.7 -1,-0.2 -3,-0.1 -2,-0.1 0.925 360.0 360.0 -77.4 -49.0 0.8 -33.8 20.1 15 93 A E 0 0 181 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.884 360.0 360.0 -49.7 360.0 -1.9 -31.0 21.2 16 ! 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 17 101 A D 0 0 137 0, 0.0 -11,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-156.3 0.7 -23.4 8.7 18 102 A M E -b 6 0A 31 -13,-0.2 2,-0.3 113,-0.0 -11,-0.2 -0.773 360.0-165.7-133.9 162.6 0.2 -27.2 8.6 19 103 A I E -b 7 0A 8 -13,-1.9 -11,-3.4 -2,-0.3 2,-0.3 -0.914 2.8-160.2-147.6 162.9 -1.8 -29.9 6.8 20 104 A T > - 0 0 33 -2,-0.3 4,-1.6 -13,-0.2 5,-0.1 -0.941 38.7-108.8-138.8 160.2 -2.7 -33.6 7.2 21 105 A L H > S+ 0 0 5 -2,-0.3 4,-3.4 2,-0.2 5,-0.4 0.817 120.7 59.4 -57.5 -29.0 -3.9 -36.2 4.8 22 106 A K H > S+ 0 0 123 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.955 103.2 51.4 -65.2 -45.3 -7.4 -35.9 6.6 23 107 A D H 4 S+ 0 0 88 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.903 117.1 41.2 -52.0 -43.9 -7.5 -32.2 5.6 24 108 A I H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 133.8 15.8 -78.1 -44.2 -6.8 -33.4 2.0 25 109 A F H < S+ 0 0 1 -4,-3.4 25,-1.2 23,-0.2 -3,-0.2 0.473 112.2 75.6-101.6 -7.8 -9.0 -36.5 1.7 26 110 A G < + 0 0 18 -4,-3.0 -3,-0.2 -5,-0.4 2,-0.2 0.548 63.9 106.4 -94.3 -7.0 -11.3 -36.0 4.6 27 111 A T > - 0 0 42 -4,-0.4 3,-1.5 -5,-0.3 23,-0.3 -0.420 67.0-134.6 -75.3 139.0 -13.7 -33.3 3.5 28 112 A E T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.739 100.6 68.6 -73.0 -15.7 -17.3 -34.3 2.5 29 113 A T T 3 S+ 0 0 54 77,-0.1 78,-1.1 24,-0.0 2,-0.5 0.630 75.0 110.9 -71.0 -13.2 -17.2 -32.1 -0.6 30 114 A L E < +C 106 0A 4 -3,-1.5 76,-0.2 76,-0.2 3,-0.1 -0.556 33.6 165.1 -69.2 121.5 -14.6 -34.6 -2.1 31 115 A K E + 0 0 69 74,-2.7 23,-2.4 -2,-0.5 24,-1.5 0.778 63.9 13.5 -99.7 -43.0 -16.1 -36.6 -5.0 32 116 A R E -Cd 105 55A 40 73,-2.0 73,-3.1 22,-0.2 2,-0.4 -0.999 57.1-166.2-149.8 140.2 -13.1 -38.0 -6.7 33 117 A S E -Cd 104 56A 0 22,-2.5 24,-2.6 -2,-0.4 2,-0.5 -0.995 2.8-164.9-133.8 126.0 -9.4 -38.4 -5.9 34 118 A I E -Cd 103 57A 0 69,-2.8 69,-2.6 -2,-0.4 2,-0.4 -0.968 17.9-168.0-113.0 125.6 -6.6 -39.3 -8.3 35 119 A L E -Cd 102 58A 0 22,-3.3 24,-2.7 -2,-0.5 2,-0.4 -0.895 18.1-175.2-121.7 146.2 -3.3 -40.5 -6.7 36 120 A F E +Cd 101 59A 0 65,-2.3 65,-1.9 -2,-0.4 2,-0.3 -0.990 25.8 145.0-133.7 124.5 0.3 -41.0 -7.8 37 121 A S - 0 0 0 22,-1.5 24,-0.5 -2,-0.4 62,-0.2 -0.981 52.7-127.1-152.6 166.5 2.9 -42.4 -5.4 38 122 A F S S+ 0 0 60 60,-0.4 2,-0.3 -2,-0.3 23,-0.2 0.816 97.5 15.3 -86.1 -28.8 5.8 -44.6 -5.0 39 123 A Q - 0 0 38 59,-0.1 81,-1.6 -3,-0.1 2,-0.4 -1.000 64.8-163.3-148.1 144.3 4.4 -46.7 -2.2 40 124 A Y E -jk 65 120B 0 24,-1.7 26,-2.3 -2,-0.3 2,-0.8 -0.993 14.2-165.1-136.2 126.9 0.9 -47.2 -0.8 41 125 A E E > -j 66 0B 44 79,-2.2 4,-3.1 -2,-0.4 3,-0.4 -0.912 21.5-161.2 -99.6 92.5 -0.3 -48.7 2.5 42 126 A L H > S+ 0 0 8 24,-1.2 4,-3.1 -2,-0.8 5,-0.2 0.851 82.1 49.6 -47.1 -45.5 -3.9 -49.1 1.5 43 127 A D H > S+ 0 0 43 23,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.884 114.2 44.9 -71.4 -33.9 -5.4 -49.4 5.0 44 128 A F H 4 S+ 0 0 27 -3,-0.4 3,-0.3 2,-0.2 4,-0.3 0.934 117.5 46.3 -68.1 -46.8 -3.6 -46.3 6.3 45 129 A L H >< S+ 0 0 0 -4,-3.1 3,-2.1 75,-0.3 4,-0.3 0.953 110.3 49.5 -62.0 -49.5 -4.5 -44.4 3.2 46 130 A L H >< S+ 0 0 2 -4,-3.1 3,-0.9 1,-0.3 -1,-0.2 0.734 99.0 68.2 -69.7 -17.2 -8.2 -45.4 2.9 47 131 A R T 3< S+ 0 0 115 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.566 91.9 64.2 -73.3 -7.9 -8.7 -44.4 6.6 48 132 A Q T < S+ 0 0 29 -3,-2.1 -1,-0.2 -4,-0.3 2,-0.2 0.659 86.4 90.5 -89.6 -14.9 -8.1 -40.8 5.5 49 133 A F S < S- 0 0 14 -3,-0.9 -23,-0.2 -4,-0.3 2,-0.2 -0.546 73.5-122.2 -86.7 145.4 -11.2 -40.6 3.2 50 134 A H > - 0 0 67 -25,-1.2 3,-1.5 -23,-0.3 -23,-0.1 -0.533 30.1-112.4 -76.5 147.4 -14.8 -39.4 4.0 51 135 A Q T 3 S+ 0 0 84 1,-0.2 -1,-0.1 -2,-0.2 -23,-0.0 0.735 109.5 69.5 -49.8 -25.9 -17.7 -41.9 3.3 52 136 A N T 3 + 0 0 94 2,-0.0 -1,-0.2 -25,-0.0 2,-0.1 0.579 67.4 115.0 -75.0 -15.7 -18.9 -39.6 0.6 53 137 A V < - 0 0 2 -3,-1.5 -22,-0.2 1,-0.1 -21,-0.2 -0.344 44.4-167.7 -60.9 136.8 -16.1 -40.1 -2.0 54 138 A E + 0 0 125 -23,-2.4 2,-0.4 1,-0.3 -22,-0.2 0.741 65.7 22.2 -95.6 -31.2 -17.3 -41.8 -5.2 55 139 A N E -d 32 0A 44 -24,-1.5 -22,-2.5 2,-0.0 2,-0.5 -0.969 48.7-175.2-147.6 131.6 -14.0 -42.7 -6.9 56 140 A I E -de 33 84A 0 27,-2.7 29,-2.5 -2,-0.4 2,-0.5 -0.933 12.3-169.2-126.7 108.8 -10.4 -43.2 -5.9 57 141 A T E -de 34 85A 1 -24,-2.6 -22,-3.3 -2,-0.5 2,-0.5 -0.885 6.2-166.0-102.2 127.0 -8.0 -43.9 -8.7 58 142 A I E -de 35 86A 0 27,-2.3 29,-3.2 -2,-0.5 2,-0.6 -0.953 5.7-166.9-123.4 119.2 -4.6 -45.0 -7.7 59 143 A V E +de 36 87A 0 -24,-2.7 -22,-1.5 -2,-0.5 2,-0.3 -0.907 29.3 135.1-108.3 119.5 -1.6 -45.1 -10.0 60 144 A G E - e 0 88A 0 27,-2.5 29,-3.0 -2,-0.6 2,-0.2 -0.980 54.6 -76.2-157.3 176.8 1.4 -46.9 -8.9 61 145 A Q E > - e 0 89A 30 -24,-0.5 3,-1.8 -2,-0.3 4,-0.4 -0.510 57.5-101.1 -73.9 134.1 4.3 -49.3 -9.6 62 146 A K T 3 S+ 0 0 129 27,-3.0 29,-0.2 1,-0.3 -1,-0.1 -0.360 111.7 25.5 -49.6 134.1 3.3 -53.0 -9.7 63 147 A G T 3 S+ 0 0 36 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.513 102.7 87.6 78.8 6.7 4.3 -54.6 -6.3 64 148 A T < + 0 0 21 -3,-1.8 -24,-1.7 1,-0.1 2,-0.9 0.630 63.0 85.1-107.9 -18.9 4.0 -51.3 -4.4 65 149 A I E -j 40 0B 23 -4,-0.4 -24,-0.2 -26,-0.2 -2,-0.2 -0.787 68.2-153.0 -84.9 106.1 0.3 -51.3 -3.4 66 150 A M E -j 41 0B 61 -26,-2.3 -24,-1.2 -2,-0.9 -23,-0.3 -0.691 16.8-138.2 -76.7 116.1 -0.0 -53.4 -0.2 67 151 A P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -24,-0.1 -0.244 23.6 -98.7 -72.6 165.9 -3.6 -54.8 -0.1 68 152 A I - 0 0 24 -26,-0.1 2,-0.2 -27,-0.1 5,-0.0 -0.743 36.6-131.9 -83.8 131.6 -5.6 -54.8 3.0 69 153 A E >> - 0 0 55 -2,-0.4 3,-3.0 1,-0.1 4,-0.9 -0.606 22.2-111.6 -82.4 149.0 -5.6 -58.2 4.8 70 154 A A G >4 S+ 0 0 87 1,-0.3 3,-1.0 -2,-0.2 -1,-0.1 0.838 117.3 57.2 -47.3 -43.8 -8.9 -59.7 5.9 71 155 A R G 34 S+ 0 0 67 1,-0.2 -1,-0.3 778,-0.1 -3,-0.0 0.536 105.9 51.5 -65.6 -10.5 -8.0 -59.2 9.6 72 156 A A G <4 S+ 0 0 27 -3,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.571 91.5 100.6-102.2 -15.5 -7.5 -55.4 9.0 73 157 A M << + 0 0 56 -3,-1.0 2,-0.3 -4,-0.9 3,-0.1 -0.163 43.6 170.9 -64.1 157.4 -10.8 -54.9 7.4 74 158 A D > - 0 0 67 1,-0.1 4,-1.3 0, 0.0 -2,-0.1 -0.830 51.3 -84.9-145.4-165.3 -13.9 -53.5 9.0 75 159 A A H > S+ 0 0 83 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.957 123.6 49.7 -67.9 -49.4 -17.2 -52.3 7.8 76 160 A T H >> S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.880 109.9 47.0 -58.4 -49.3 -16.0 -48.9 6.9 77 161 A L H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 104.5 61.7 -63.9 -38.5 -13.0 -49.8 4.8 78 162 A A H 3X S+ 0 0 34 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.784 105.2 48.4 -59.7 -28.9 -14.9 -52.4 2.8 79 163 A V H << S+ 0 0 61 -4,-1.0 3,-0.4 -3,-0.6 4,-0.3 0.919 114.1 43.7 -75.3 -50.8 -17.2 -49.6 1.5 80 164 A I H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.842 106.9 63.8 -58.7 -36.3 -14.3 -47.3 0.5 81 165 A L H >< S+ 0 0 63 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.823 93.4 60.4 -63.0 -35.5 -12.4 -50.2 -1.0 82 166 A K T 3< S+ 0 0 170 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.621 100.0 57.8 -65.7 -16.4 -15.1 -50.8 -3.7 83 167 A K T < S+ 0 0 51 -3,-1.5 -27,-2.7 -4,-0.3 2,-0.4 0.416 84.5 102.7 -94.1 3.3 -14.6 -47.3 -5.0 84 168 A V E < -e 56 0A 28 -3,-1.5 2,-0.5 -29,-0.2 -27,-0.2 -0.738 48.4-169.3 -96.0 127.5 -10.8 -47.8 -5.7 85 169 A K E -e 57 0A 86 -29,-2.5 -27,-2.3 -2,-0.4 2,-0.4 -0.984 14.7-147.8-112.3 127.2 -9.6 -48.4 -9.3 86 170 A L E -e 58 0A 74 -2,-0.5 2,-0.6 -29,-0.2 -27,-0.2 -0.809 10.9-166.1-100.4 127.9 -5.9 -49.5 -9.6 87 171 A I E -e 59 0A 3 -29,-3.2 -27,-2.5 -2,-0.4 2,-0.5 -0.940 16.1-155.6-109.3 108.9 -3.6 -48.6 -12.4 88 172 A E E -e 60 0A 81 -2,-0.6 2,-0.5 -29,-0.2 -27,-0.2 -0.775 4.0-160.6 -86.3 119.0 -0.5 -50.8 -12.3 89 173 A I E -e 61 0A 10 -29,-3.0 -27,-3.0 -2,-0.5 2,-0.6 -0.843 7.8-147.6 -97.0 130.9 2.7 -49.6 -13.9 90 174 A T - 0 0 111 -2,-0.5 -29,-0.1 -29,-0.2 -27,-0.0 -0.890 20.5-162.8 -96.9 122.7 5.4 -52.1 -14.8 91 175 A M - 0 0 25 -2,-0.6 3,-0.1 -29,-0.2 4,-0.1 -0.787 20.8-110.7-105.0 145.3 8.8 -50.5 -14.5 92 176 A P > - 0 0 66 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.113 57.9 -75.6 -49.9 162.7 12.2 -51.6 -15.9 93 177 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.396 118.9 18.2 -68.3 149.6 14.7 -52.8 -13.3 94 178 A F T 3 S+ 0 0 196 1,-0.2 2,-0.4 -3,-0.1 280,-0.1 0.747 102.6 113.5 61.4 26.5 16.3 -50.0 -11.2 95 179 A A < - 0 0 4 -3,-1.0 2,-0.4 -4,-0.1 -1,-0.2 -0.958 49.3-156.9-125.8 146.7 13.6 -47.6 -12.1 96 180 A S - 0 0 34 -2,-0.4 280,-1.9 268,-0.1 2,-1.4 -0.974 26.3-137.9-127.2 144.7 11.0 -46.0 -9.9 97 181 A H B +l 376 0C 0 -2,-0.4 -36,-0.2 278,-0.2 280,-0.1 -0.701 43.9 158.9 -84.3 77.9 7.6 -44.5 -10.2 98 182 A A + 0 0 12 -2,-1.4 -60,-0.4 278,-1.1 279,-0.2 0.730 23.2 121.9 -78.6 -27.8 8.7 -41.8 -7.7 99 183 A T - 0 0 0 277,-1.4 2,-0.5 -3,-0.2 278,-0.1 -0.066 42.8-164.4 -37.3 131.4 6.0 -39.1 -8.7 100 184 A K + 0 0 11 278,-0.2 2,-0.3 -63,-0.2 -63,-0.2 -0.992 25.9 146.4-124.0 123.9 3.8 -38.0 -5.8 101 185 A L E -C 36 0A 0 -65,-1.9 -65,-2.3 -2,-0.5 2,-0.4 -0.986 29.6-164.1-160.3 134.8 0.7 -36.2 -6.9 102 186 A I E -CF 35 114A 0 12,-2.9 12,-2.7 -2,-0.3 2,-0.5 -0.997 2.8-171.3-122.2 136.1 -2.9 -35.9 -5.9 103 187 A I E -CF 34 113A 0 -69,-2.6 -69,-2.8 -2,-0.4 2,-0.4 -0.983 15.3-166.7-125.6 111.9 -5.7 -34.4 -8.1 104 188 A N E -CF 33 112A 0 8,-3.0 8,-1.9 -2,-0.5 2,-0.5 -0.830 10.8-158.5-104.3 141.6 -8.9 -33.9 -6.2 105 189 A F E -CF 32 111A 13 -73,-3.1 -74,-2.7 -2,-0.4 -73,-2.0 -0.981 14.6-163.4-119.6 120.2 -12.4 -33.2 -7.6 106 190 A Y E > -C 30 0A 21 4,-3.2 3,-0.8 -2,-0.5 -76,-0.2 -0.290 33.2 -92.0 -96.7 179.2 -15.0 -31.5 -5.4 107 191 A D T 3 S+ 0 0 82 -78,-1.1 2,-0.3 1,-0.2 -77,-0.1 0.840 115.3 49.3 -63.7 -42.5 -18.8 -31.2 -5.6 108 192 A N T 3 S- 0 0 109 1,-0.1 -1,-0.2 -79,-0.1 32,-0.1 -0.150 128.0 -84.5 -96.1 40.3 -19.2 -27.9 -7.4 109 193 A G S < S+ 0 0 23 -3,-0.8 31,-2.3 -2,-0.3 2,-0.2 0.627 85.7 147.6 62.1 14.8 -16.9 -28.7 -10.2 110 194 A E E - 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0 0 14 -2,-2.0 4,-2.1 -81,-0.2 5,-0.2 -0.964 70.0-124.3-121.7 150.5 2.5 -44.9 4.2 122 206 A S H > S+ 0 0 35 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.966 107.0 43.8 -58.5 -56.1 2.1 -44.2 7.9 123 207 A M H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 113.9 50.8 -62.3 -36.8 5.8 -44.3 8.9 124 208 A E H 4 S+ 0 0 7 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.864 109.4 52.2 -70.2 -29.1 6.9 -42.2 6.0 125 209 A T H < S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 119.9 30.5 -69.5 -37.2 4.3 -39.7 6.7 126 210 A N H < S+ 0 0 4 -4,-1.8 -115,-0.3 -5,-0.2 -114,-0.2 0.604 111.2 58.5-100.7 -14.8 5.2 -39.2 10.4 127 211 A L S < S+ 0 0 0 -4,-2.1 163,-0.2 -5,-0.2 -3,-0.1 0.972 101.2 34.7 -89.0 -69.4 8.9 -39.8 10.7 128 212 A P S S- 0 0 1 0, 0.0 204,-0.2 0, 0.0 2,-0.1 -0.514 100.8 -89.4 -77.6 161.7 11.0 -37.5 8.5 129 213 A Q B -m 332 0D 13 202,-2.3 204,-2.5 -2,-0.1 2,-0.3 -0.373 51.4-171.0 -66.0 141.2 9.7 -33.9 8.0 130 214 A Q - 0 0 2 -123,-0.3 -123,-3.2 202,-0.2 2,-0.3 -0.942 11.4-160.6-135.6 152.1 7.4 -33.6 5.0 131 215 A V E -A 6 0A 0 -2,-0.3 -14,-2.4 -125,-0.3 2,-0.4 -0.864 5.6-152.1-126.6 164.8 5.8 -30.8 3.0 132 216 A C E -AH 5 116A 0 -127,-2.8 -127,-2.3 -2,-0.3 2,-0.4 -0.953 8.2-147.3-139.8 120.6 2.9 -30.5 0.7 133 217 A W E -AH 4 115A 0 -18,-2.0 -18,-1.7 -2,-0.4 2,-0.4 -0.762 19.8-159.0 -78.8 136.5 2.5 -28.0 -2.1 134 218 A C E -AH 3 114A 1 -131,-2.7 -131,-2.2 -2,-0.4 -20,-0.2 -0.980 7.0-137.7-124.5 118.3 -1.1 -27.1 -2.6 135 219 A S - 0 0 1 -22,-3.3 3,-0.1 -2,-0.4 2,-0.1 -0.208 31.3 -97.7 -61.1 159.8 -2.5 -25.5 -5.8 136 220 A P - 0 0 18 0, 0.0 -23,-0.3 0, 0.0 -1,-0.1 -0.430 58.5 -78.6 -66.0 156.8 -5.0 -22.7 -5.8 137 221 A L - 0 0 71 -136,-0.1 2,-0.3 -25,-0.1 -25,-0.2 -0.341 54.0-158.7 -55.7 134.7 -8.6 -23.9 -6.3 138 222 A L E -G 111 0A 0 -27,-2.9 -27,-3.1 -3,-0.1 2,-0.4 -0.876 4.2-137.3-117.1 154.1 -9.3 -24.6 -10.0 139 223 A K E -GI 110 177A 143 38,-0.8 38,-3.4 -2,-0.3 2,-0.5 -0.932 18.2-120.4-117.6 136.2 -12.7 -24.8 -11.8 140 224 A I E + I 0 176A 79 -31,-2.3 2,-0.3 -2,-0.4 36,-0.2 -0.661 67.1 124.7 -63.5 119.7 -14.1 -27.2 -14.4 141 225 A G - 0 0 31 34,-2.1 2,-0.2 -2,-0.5 -2,-0.0 -0.933 68.7 -78.3-176.6 156.5 -14.7 -24.8 -17.2 142 226 A K - 0 0 212 -2,-0.3 2,-0.3 35,-0.1 35,-0.1 -0.474 54.3-129.7 -70.9 140.1 -13.8 -24.2 -20.8 143 227 A E - 0 0 58 1,-0.2 -1,-0.1 -2,-0.2 34,-0.0 -0.736 26.4-178.6-108.5 144.1 -10.3 -22.7 -21.2 144 228 A G + 0 0 65 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.734 68.9 37.9 -97.2 -99.5 -9.0 -19.7 -23.0 145 229 A L S S- 0 0 149 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.336 87.9-115.7 -51.5 131.3 -5.2 -19.2 -22.8 146 230 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.601 31.8-141.1 -64.9 129.9 -3.2 -22.4 -22.9 147 231 A V > - 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.847 5.4-143.2-100.9 126.4 -1.5 -22.6 -19.6 148 232 A P H > S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.944 102.1 55.1 -54.7 -42.8 2.1 -23.9 -19.5 149 233 A F H > S+ 0 0 1 35,-0.5 4,-2.2 32,-0.4 5,-0.2 0.929 112.9 42.5 -55.5 -51.4 1.5 -25.8 -16.2 150 234 A K H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 111.2 53.5 -58.3 -46.1 -1.5 -27.6 -17.8 151 235 A R H X S+ 0 0 131 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.903 112.1 45.7 -57.2 -44.2 0.2 -28.3 -21.1 152 236 A S H X S+ 0 0 7 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.903 109.7 54.6 -70.4 -36.3 3.2 -30.0 -19.2 153 237 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.867 109.0 49.1 -68.5 -30.4 0.9 -31.9 -17.0 154 238 A I H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.937 109.9 48.7 -73.7 -43.8 -0.9 -33.3 -20.0 155 239 A E H X S+ 0 0 67 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.879 110.9 53.1 -60.5 -32.5 2.3 -34.4 -21.8 156 240 A Y H >< S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 4,-0.4 0.964 109.0 48.0 -67.3 -49.3 3.5 -36.0 -18.6 157 241 A L H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 5,-0.4 0.856 111.5 51.2 -53.4 -41.4 0.3 -38.0 -18.3 158 242 A N H >< S+ 0 0 70 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.766 93.5 73.4 -67.2 -28.0 0.6 -39.1 -21.9 159 243 A S T << S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.641 85.9 66.2 -66.6 -10.8 4.2 -40.2 -21.4 160 244 A Y T < S- 0 0 14 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.689 89.8-154.7 -75.2 -18.6 2.7 -43.2 -19.5 161 245 A H < + 0 0 104 -3,-2.1 2,-0.4 1,-0.2 -3,-0.1 0.850 42.6 138.8 40.0 45.5 1.2 -44.4 -22.8 162 246 A L > - 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E 0 998U 49 29,-0.2 -4,-2.9 66,-0.1 2,-0.3 -0.570 26.5-171.5 -79.5 152.0 33.6 -28.7 37.4 970 195 C C E -DE 964 997U 2 27,-2.6 27,-3.5 -6,-0.2 2,-0.3 -0.995 7.4-174.0-145.4 143.4 30.2 -27.1 37.5 971 196 C K E -D 963 0U 56 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.4 -0.962 9.6-152.4-139.8 147.2 27.4 -27.2 40.0 972 197 C I E -D 962 0U 2 -2,-0.3 22,-3.3 23,-0.3 2,-0.4 -0.968 12.1-170.5-125.0 138.8 23.8 -25.8 39.9 973 198 C F E -DF 961 993U 6 -12,-3.0 -12,-2.4 -2,-0.4 20,-0.2 -0.980 20.0-160.1-131.1 145.2 21.6 -24.7 42.9 974 199 C L E - F 0 992U 4 18,-2.3 18,-1.8 -2,-0.4 -14,-0.2 -0.803 20.9-174.1-115.8 89.0 18.0 -23.6 43.5 975 200 C P E - F 0 991U 3 0, 0.0 16,-0.2 0, 0.0 -16,-0.1 -0.389 21.9-144.6 -68.5 151.6 18.0 -21.8 46.7 976 201 C S S S+ 0 0 7 14,-1.9 2,-0.3 -2,-0.1 15,-0.1 0.632 77.1 78.2 -95.0 -8.2 14.5 -20.8 48.0 977 202 C N S S- 0 0 0 13,-0.3 7,-0.1 7,-0.1 2,-0.1 -0.728 79.0-125.0 -96.4 147.8 15.7 -17.6 49.4 978 203 C N - 0 0 5 -2,-0.3 2,-1.8 -82,-0.1 -79,-0.2 -0.310 45.3 -93.5 -75.9 165.8 16.6 -14.3 47.7 979 204 C F B S+i 899 0V 0 -81,-1.7 -79,-2.7 4,-0.1 2,-0.4 -0.425 87.8 110.9 -90.7 62.9 20.1 -13.0 48.4 980 205 C T S > S- 0 0 13 -2,-1.8 4,-1.8 -81,-0.2 5,-0.2 -0.994 70.7-123.4-125.3 144.2 19.3 -10.8 51.4 981 206 C S H >> S+ 0 0 33 -2,-0.4 4,-1.5 1,-0.2 3,-0.6 0.944 106.5 44.9 -48.1 -63.6 20.3 -11.3 55.0 982 207 C M H >> S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.920 113.5 50.3 -55.6 -41.1 16.9 -11.3 56.7 983 208 C E H 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.835 109.0 53.4 -67.5 -27.5 15.3 -13.5 54.0 984 209 C T H << S+ 0 0 9 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.840 120.3 29.6 -72.9 -26.8 18.0 -16.0 54.4 985 210 C N H << S+ 0 0 4 -4,-1.5 -115,-0.3 -3,-0.5 -114,-0.2 0.659 111.2 58.2-114.9 -19.2 17.7 -16.3 58.1 986 211 C L S < S+ 0 0 11 -4,-2.5 163,-0.2 -5,-0.3 2,-0.2 0.991 102.1 35.3 -84.1 -65.5 14.1 -15.6 59.1 987 212 C P S S- 0 0 3 0, 0.0 204,-0.2 0, 0.0 2,-0.2 -0.535 100.7 -91.1 -81.9 159.2 11.7 -18.1 57.4 988 213 C Q B -k 1191 0X 14 202,-2.5 204,-2.9 -2,-0.2 2,-0.3 -0.493 49.8-171.6 -69.0 138.3 13.0 -21.7 56.8 989 214 C Q - 0 0 1 -123,-0.3 -123,-3.4 202,-0.2 2,-0.3 -0.926 9.7-159.3-129.6 153.5 14.7 -22.0 53.4 990 215 C V E -Y 865 0U 0 -2,-0.3 -14,-1.9 -125,-0.3 2,-0.4 -0.869 5.7-149.4-128.7 164.4 16.0 -25.1 51.5 991 216 C C E -YF 864 975U 0 -127,-3.1 -127,-2.6 -2,-0.3 2,-0.4 -0.962 4.9-150.4-139.5 122.5 18.4 -25.4 48.7 992 217 C W E -YF 863 974U 0 -18,-1.8 -18,-2.3 -2,-0.4 2,-0.4 -0.782 18.9-161.9 -85.6 135.1 18.4 -28.0 46.0 993 218 C C E -YF 862 973U 0 -131,-2.7 -131,-2.0 -2,-0.4 -20,-0.2 -0.978 9.6-136.0-119.8 128.6 21.9 -28.9 44.8 994 219 C S - 0 0 1 -22,-3.3 3,-0.1 -2,-0.4 46,-0.1 -0.335 32.5 -97.6 -68.9 162.8 22.7 -30.6 41.5 995 220 C P - 0 0 17 0, 0.0 -23,-0.3 0, 0.0 -134,-0.1 -0.333 59.6 -76.1 -65.4 159.4 25.2 -33.4 41.3 996 221 C L - 0 0 72 -136,-0.1 2,-0.3 -25,-0.1 -25,-0.2 -0.388 54.5-158.2 -56.8 132.0 28.7 -32.3 40.2 997 222 C L E -E 970 0U 0 -27,-3.5 -27,-2.6 -3,-0.1 2,-0.4 -0.888 4.0-137.8-114.9 149.7 28.8 -31.7 36.4 998 223 C K E -EG 9691036U 137 38,-0.7 38,-2.8 -2,-0.3 2,-0.5 -0.902 18.8-119.3-112.7 136.6 31.8 -31.6 34.0 999 224 C I E + G 01035U 82 -31,-3.0 2,-0.3 -2,-0.4 36,-0.2 -0.608 67.5 125.6 -61.4 116.3 32.8 -29.3 31.1 1000 225 C G - 0 0 32 34,-1.8 2,-0.2 -2,-0.5 -2,-0.0 -0.957 68.7 -83.0-173.2 155.8 32.8 -31.9 28.4 1001 226 C K - 0 0 172 -2,-0.3 2,-0.4 35,-0.1 35,-0.1 -0.548 54.2-128.3 -74.3 142.4 31.3 -32.6 24.9 1002 227 C E - 0 0 49 -2,-0.2 -1,-0.1 1,-0.2 34,-0.0 -0.808 25.5-174.8-110.2 137.7 27.9 -34.1 25.3 1003 228 C G + 0 0 47 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.849 69.9 36.9 -84.1-100.0 26.3 -37.2 23.9 1004 229 C L S S- 0 0 72 -564,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.304 87.3-114.9 -53.3 131.9 22.7 -37.7 24.7 1005 230 C P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.606 32.8-142.6 -66.0 128.1 20.6 -34.6 24.7 1006 231 C V > - 0 0 7 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 -0.826 5.8-141.8-100.8 121.4 19.5 -34.3 28.4 1007 232 C P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.926 102.2 55.5 -51.6 -45.6 15.9 -32.9 28.9 1008 233 C F H > S+ 0 0 1 35,-0.6 4,-2.3 32,-0.3 5,-0.2 0.934 112.9 42.8 -45.9 -53.8 17.0 -30.9 32.0 1009 234 C K H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 110.7 53.5 -63.3 -48.1 19.7 -29.1 29.9 1010 235 C R H X S+ 0 0 118 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 113.3 45.4 -54.3 -39.4 17.5 -28.6 26.9 1011 236 C S H X S+ 0 0 7 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.887 109.3 53.3 -73.5 -38.0 14.9 -26.9 29.1 1012 237 C L H X S+ 0 0 1 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.908 109.7 50.2 -67.4 -38.1 17.4 -24.8 30.9 1013 238 C I H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.937 109.3 48.5 -65.5 -43.0 18.7 -23.5 27.6 1014 239 C E H X S+ 0 0 40 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.841 110.5 54.5 -65.3 -29.8 15.2 -22.6 26.3 1015 240 C Y H < S+ 0 0 0 -4,-2.0 3,-0.3 2,-0.2 4,-0.3 0.911 107.8 48.2 -65.3 -44.2 14.6 -20.8 29.6 1016 241 C L H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 5,-0.4 0.895 110.9 52.3 -64.2 -34.1 17.8 -18.8 29.2 1017 242 C N H >< S+ 0 0 68 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.780 92.4 72.6 -70.0 -26.6 16.8 -17.9 25.6 1018 243 C S T 3< S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.584 86.8 65.4 -69.7 -7.8 13.4 -16.7 26.7 1019 244 C Y T < S- 0 0 13 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.646 88.9-156.1 -79.7 -18.1 15.1 -13.6 28.1 1020 245 C H < + 0 0 107 -3,-2.3 2,-0.4 -4,-0.2 -3,-0.1 0.808 41.5 139.8 38.9 41.3 16.1 -12.6 24.6 1021 246 C L > - 0 0 62 -5,-0.4 4,-1.9 1,-0.1 3,-0.5 -0.954 54.7-141.6-109.6 138.3 19.0 -10.6 25.9 1022 247 C K H > S+ 0 0 143 -2,-0.4 4,-2.2 1,-0.2 5,-0.3 0.859 101.8 57.0 -61.9 -39.0 22.4 -10.6 24.1 1023 248 C D H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.843 107.0 47.8 -62.4 -34.7 24.2 -10.6 27.4 1024 249 C I H >>S+ 0 0 0 -3,-0.5 5,-2.2 2,-0.2 4,-1.9 0.945 110.9 52.0 -69.9 -45.5 22.5 -13.8 28.6 1025 250 C D H <>S+ 0 0 58 -4,-1.9 5,-1.0 3,-0.2 -2,-0.2 0.846 122.1 30.3 -60.4 -41.3 23.2 -15.5 25.3 1026 251 C E H <5S+ 0 0 82 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.884 125.8 38.3 -87.2 -44.7 26.9 -14.6 25.4 1027 252 C L H <5S+ 0 0 56 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.674 133.9 10.9 -85.0 -14.4 27.8 -14.5 29.1 1028 253 C I T >X5S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 3,-0.5 0.721 119.4 52.0-129.9 -62.3 25.7 -17.4 30.3 1029 254 C T H 3>< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.853 101.9 61.6 -65.6 -38.0 26.2 -23.5 30.1 1033 258 C E H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 99.3 57.2 -51.6 -36.1 26.3 -25.2 26.6 1034 259 C E T << S+ 0 0 108 -4,-0.8 -34,-1.8 -3,-0.6 2,-0.3 0.494 88.7 95.2 -77.9 -4.9 29.8 -26.5 27.3 1035 260 C V E < S-G 999 0U 1 -3,-1.4 2,-0.6 -36,-0.2 -36,-0.3 -0.653 74.4-130.0 -91.4 145.8 28.7 -28.4 30.4 1036 261 C N E -G 998 0U 38 -38,-2.8 -38,-0.7 -2,-0.3 -35,-0.1 -0.848 20.1-173.9 -95.9 119.6 27.8 -32.1 30.3 1037 262 C F > + 0 0 1 -2,-0.6 3,-2.8 1,-0.2 -29,-0.1 0.222 45.1 119.6-102.0 12.6 24.4 -32.7 32.1 1038 263 C A G > + 0 0 47 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.840 69.4 62.7 -49.0 -39.2 24.3 -36.5 32.0 1039 264 C P G 3 S+ 0 0 63 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.709 102.2 52.2 -60.3 -17.2 24.2 -36.7 35.8 1040 265 C L G X S+ 0 0 0 -3,-2.8 3,-1.5 1,-0.2 -32,-0.3 0.186 72.3 118.3-101.6 20.0 20.9 -34.8 35.7 1041 266 C S T < S+ 0 0 47 -3,-1.9 -1,-0.2 1,-0.3 -3,-0.1 0.701 70.2 55.4 -63.9 -19.6 19.2 -37.2 33.2 1042 267 C E T 3 S+ 0 0 61 -3,-0.3 200,-0.5 -4,-0.1 -1,-0.3 0.724 100.6 71.7 -83.9 -16.4 16.5 -38.3 35.5 1043 268 C L < - 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