==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-DEC-08 3FMV . COMPND 2 MOLECULE: SERINE PHOSPHATASE OF RNA POLYMERASE II CTD; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR A.P.KUZIN,Y.CHEN,J.SEETHARAMAN,F.FOROUHAR,Y.CHINAG,Y.FANG, . 1520 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1103 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 4.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 118 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 518 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 1 0 6 1 1 12 1 15 3 1 1 3 3 5 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 1 15 5 3 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 . 1 3 8 2 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 ANTIPARALLEL BRIDGES PER LADDER . 10 0 0 2 5 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 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 6 A K 0 0 235 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 0.1 20.1 6.1 76.9 2 7 A L - 0 0 26 26,-0.1 26,-0.5 101,-0.0 2,-0.4 -0.931 360.0-106.9-127.8 148.4 17.2 7.0 74.6 3 8 A A - 0 0 15 -2,-0.3 99,-2.1 97,-0.1 100,-1.3 -0.572 42.1-178.7 -77.3 123.5 14.2 5.1 73.2 4 9 A V E -ab 29 103A 1 24,-1.6 26,-3.1 -2,-0.4 2,-0.3 -0.922 13.9-172.6-129.0 152.5 14.4 4.3 69.5 5 10 A A E -ab 30 104A 0 98,-1.3 100,-1.6 -2,-0.3 2,-0.4 -0.990 7.7-160.2-146.5 132.1 12.3 2.6 66.9 6 11 A V E -ab 31 105A 0 24,-1.7 26,-2.0 -2,-0.3 2,-0.4 -0.893 15.6-162.4-109.6 140.1 13.0 1.7 63.3 7 12 A V E +ab 32 106A 0 98,-1.7 100,-1.7 -2,-0.4 101,-0.2 -0.930 21.1 157.0-135.7 116.1 10.1 1.1 61.1 8 13 A C E -a 33 0A 2 24,-1.4 26,-1.1 -2,-0.4 27,-0.2 -0.200 55.2 -93.3-106.3-152.4 9.8 -0.7 57.7 9 14 A S S S+ 0 0 38 24,-0.3 26,-1.2 25,-0.2 24,-0.2 0.690 114.8 20.7-102.5 -17.7 6.5 -2.2 56.4 10 15 A S S S- 0 0 15 22,-0.2 23,-0.2 24,-0.1 -1,-0.1 0.317 90.7-127.2-128.6 6.6 6.5 -5.8 57.5 11 16 A N S S+ 0 0 0 21,-0.4 22,-0.1 1,-0.1 81,-0.1 0.789 85.7 101.8 47.5 35.4 9.1 -5.7 60.4 12 17 A X S S+ 0 0 9 27,-0.1 -1,-0.1 79,-0.1 72,-0.1 0.816 84.0 6.1-107.9 -60.2 10.8 -8.5 58.6 13 18 A N S >> S+ 0 0 13 3,-0.1 4,-1.7 2,-0.0 3,-1.5 0.693 124.9 24.4 -97.7-102.6 13.8 -7.2 56.8 14 19 A R H >> S+ 0 0 9 125,-0.3 4,-2.3 1,-0.3 3,-1.3 0.808 121.5 48.5 -28.0 -80.2 15.1 -3.6 57.0 15 20 A S H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.727 114.2 48.7 -33.6 -38.9 13.8 -2.6 60.4 16 21 A X H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.871 109.0 51.0 -76.1 -40.5 15.1 -5.8 62.0 17 22 A E H X S+ 0 0 30 -4,-2.7 4,-2.6 2,-0.2 3,-1.0 0.999 114.7 43.2 -61.6 -66.4 20.1 -5.8 65.2 21 26 A F H 3X S+ 0 0 54 -4,-2.2 4,-0.7 1,-0.3 -2,-0.2 0.904 112.1 50.9 -44.8 -59.2 22.8 -3.3 64.8 22 27 A L H 3<>S+ 0 0 2 -4,-2.9 5,-1.5 1,-0.2 -1,-0.3 0.826 115.5 46.4 -52.1 -30.4 21.4 -0.6 67.0 23 28 A A H X<5S+ 0 0 37 -4,-1.3 3,-3.1 -3,-1.0 -2,-0.2 0.967 105.7 53.6 -78.4 -53.1 21.1 -3.3 69.6 24 29 A K H 3<5S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.519 108.1 56.9 -58.2 -4.2 24.5 -4.9 69.4 25 30 A K T 3<5S- 0 0 109 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.561 122.9-107.9-101.2 -14.4 25.7 -1.4 69.9 26 31 A G T < 5 + 0 0 65 -3,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.220 67.7 144.6 111.0 -14.5 23.9 -1.0 73.2 27 32 A F < - 0 0 27 -5,-1.5 2,-0.9 -6,-0.2 -1,-0.3 -0.215 58.1-113.5 -61.0 142.0 21.1 1.4 72.1 28 33 A N + 0 0 72 -26,-0.5 -24,-1.6 -23,-0.0 2,-0.4 -0.664 57.3 161.9 -76.1 108.4 17.6 1.2 73.5 29 34 A V E -a 4 0A 14 -2,-0.9 2,-0.3 -26,-0.2 -24,-0.2 -0.989 29.5-176.2-142.3 142.3 15.6 0.1 70.4 30 35 A R E -a 5 0A 84 -26,-3.1 -24,-1.7 -2,-0.4 2,-0.4 -0.859 16.9-148.3-121.0 158.3 12.3 -1.4 69.3 31 36 A S E +a 6 0A 0 -2,-0.3 61,-0.4 -26,-0.2 2,-0.2 -0.995 21.9 159.6-136.5 137.2 11.2 -2.3 65.7 32 37 A Y E -a 7 0A 1 -26,-2.0 -24,-1.4 -2,-0.4 -21,-0.4 -0.620 25.5-132.2-135.2-169.1 7.8 -2.3 64.1 33 38 A G E -ac 8 93A 0 59,-1.0 61,-3.2 -26,-0.2 62,-0.4 -0.964 4.7-150.8-147.4 160.6 6.0 -2.2 60.7 34 39 A T + 0 0 4 -26,-1.1 -25,-0.2 -2,-0.3 -24,-0.1 0.665 60.6 107.3-109.2 -19.7 3.2 -0.1 59.4 35 40 A G S S- 0 0 14 -26,-1.2 3,-0.1 -27,-0.2 -2,-0.1 0.185 76.0-117.1 -50.6 173.8 1.7 -2.5 56.8 36 41 A E S S+ 0 0 157 1,-0.3 2,-0.3 57,-0.0 17,-0.3 0.814 95.1 8.9 -83.7 -35.0 -1.6 -4.4 57.2 37 42 A R S S- 0 0 148 -28,-0.1 -1,-0.3 15,-0.1 2,-0.2 -0.993 85.1-100.4-146.3 147.6 -0.0 -7.8 57.2 38 43 A V E -F 51 0B 0 13,-1.6 13,-3.1 -2,-0.3 2,-0.4 -0.533 46.3-170.6 -66.7 132.5 3.5 -9.1 57.2 39 44 A K E -F 50 0B 120 11,-0.2 11,-0.2 -2,-0.2 -27,-0.1 -0.986 8.5-177.9-133.0 127.2 4.3 -9.9 53.6 40 45 A L E -F 49 0B 3 9,-2.7 9,-2.0 -2,-0.4 2,-0.1 -0.718 39.0 -82.6-115.8 166.8 7.3 -11.8 52.3 41 46 A P - 0 0 75 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.458 48.3-170.8 -71.0 142.5 8.5 -12.8 48.8 42 47 A G - 0 0 11 2,-0.8 7,-0.1 5,-0.2 0, 0.0 -0.153 46.8 -64.6-112.5-153.1 7.0 -15.9 47.3 43 48 A X S S+ 0 0 110 4,-0.2 2,-0.2 5,-0.1 6,-0.0 0.640 118.7 23.2 -74.5 -15.5 7.5 -18.0 44.1 44 49 A A S S- 0 0 41 3,-1.4 -2,-0.8 1,-0.0 3,-0.0 -0.755 85.6-105.2-136.2-177.1 6.5 -15.1 41.9 45 50 A F S S+ 0 0 204 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.584 124.5 38.0 -86.2 -15.4 6.4 -11.3 42.0 46 51 A D S S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.191 108.9 67.5-117.3 2.3 2.6 -11.5 42.4 47 52 A K + 0 0 126 -3,-0.0 -3,-1.4 2,-0.0 -5,-0.2 -0.880 66.5 155.9-132.8 95.7 2.5 -14.5 44.7 48 53 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -5,-0.1 -0.457 46.1-102.8-109.2-175.2 3.9 -13.8 48.1 49 54 A N E -F 40 0B 12 -9,-2.0 -9,-2.7 -2,-0.2 2,-0.4 -0.941 38.1-170.9-116.0 107.6 3.6 -15.2 51.6 50 55 A V E -F 39 0B 45 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.838 5.5-176.6-105.1 139.4 1.4 -13.0 53.8 51 56 A Y E -F 38 0B 31 -13,-3.1 -13,-1.6 -2,-0.4 2,-0.1 -0.877 32.3 -88.8-132.9 165.7 0.9 -13.5 57.6 52 57 A E > - 0 0 130 -2,-0.3 3,-1.6 -15,-0.2 -15,-0.1 -0.390 38.7-121.1 -65.2 141.9 -0.9 -12.2 60.6 53 58 A F T 3 S+ 0 0 31 -17,-0.3 40,-0.2 1,-0.3 -1,-0.1 0.250 111.3 50.3 -71.3 18.7 0.8 -9.3 62.4 54 59 A G T 3 S+ 0 0 38 38,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.465 78.6 117.5-131.7 -6.1 0.9 -11.5 65.5 55 60 A T S < S- 0 0 30 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.271 71.3-104.3 -66.7 148.7 2.3 -14.8 64.3 56 61 A K > - 0 0 73 34,-0.2 4,-1.6 1,-0.2 34,-0.2 -0.428 14.7-133.8 -68.6 147.6 5.6 -16.0 65.7 57 62 A Y H > S+ 0 0 0 32,-1.3 4,-2.0 1,-0.2 5,-0.2 0.847 110.7 64.1 -67.8 -31.1 8.6 -15.5 63.5 58 63 A E H > S+ 0 0 72 31,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.886 104.4 42.9 -55.8 -43.9 9.2 -19.1 64.6 59 64 A D H > S+ 0 0 70 2,-0.2 4,-3.9 1,-0.2 -1,-0.2 0.800 108.5 55.8 -74.0 -34.8 6.0 -20.3 62.9 60 65 A I H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.891 111.4 47.4 -64.3 -37.0 6.6 -18.3 59.8 61 66 A Y H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.896 111.5 48.9 -69.2 -42.6 9.9 -20.2 59.6 62 67 A R H X S+ 0 0 138 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.982 112.4 51.0 -60.2 -52.8 8.2 -23.5 60.3 63 68 A D H < S+ 0 0 64 -4,-3.9 3,-0.5 1,-0.2 -2,-0.2 0.943 111.8 42.4 -48.9 -68.2 5.7 -22.7 57.6 64 69 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.860 114.6 53.3 -46.8 -44.7 8.2 -21.8 54.7 65 70 A E H 3X S+ 0 0 66 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.894 102.4 55.9 -58.7 -46.8 10.4 -24.7 55.7 66 71 A S T 3< S+ 0 0 87 -4,-2.4 -1,-0.3 -3,-0.5 -2,-0.2 0.041 118.2 39.7 -77.6 25.8 7.5 -27.3 55.5 67 72 A K T <4 S- 0 0 106 -3,-1.1 2,-1.3 -5,-0.1 3,-0.2 0.047 133.9 -1.7-135.8-109.1 7.1 -26.0 51.9 68 73 A D T > S+ 0 0 71 -4,-0.5 4,-2.1 1,-0.2 5,-0.4 -0.321 71.0 170.3 -88.1 56.4 9.9 -25.1 49.6 69 74 A K H X S+ 0 0 97 -2,-1.3 4,-1.1 -4,-0.8 -1,-0.2 0.807 77.8 43.0 -30.2 -51.2 12.5 -26.0 52.3 70 75 A E H >> S+ 0 0 145 -3,-0.2 4,-1.7 2,-0.2 3,-1.6 0.998 111.7 50.6 -60.9 -71.5 15.2 -25.6 49.6 71 76 A F H >> S+ 0 0 74 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.847 113.4 45.4 -33.1 -59.0 14.0 -22.5 47.8 72 77 A Y H 3X S+ 0 0 2 -4,-2.1 6,-2.0 1,-0.2 4,-0.6 0.712 108.0 53.2 -67.9 -23.4 13.7 -20.5 51.0 73 78 A T H << S+ 0 0 55 -3,-1.6 -1,-0.2 -4,-1.1 -2,-0.2 0.752 113.1 49.9 -78.8 -23.0 17.0 -21.4 52.6 74 79 A Q H << S+ 0 0 121 -4,-1.7 -2,-0.2 -3,-0.6 -3,-0.1 0.953 108.9 44.0 -78.1 -58.2 18.6 -20.3 49.4 75 80 A N H < S- 0 0 75 -4,-2.0 -1,-0.1 1,-0.1 -3,-0.1 0.688 116.2-113.0 -64.5 -18.1 17.1 -16.8 48.7 76 81 A G S >X S+ 0 0 24 -4,-0.6 4,-2.4 -5,-0.3 3,-1.2 -0.089 83.6 119.1 114.5 -34.8 17.7 -16.1 52.4 77 82 A L H 3> S+ 0 0 9 1,-0.3 4,-1.8 2,-0.2 -4,-0.2 0.693 79.5 51.0 -35.9 -36.0 14.2 -15.8 53.9 78 83 A L H 3> S+ 0 0 2 -6,-2.0 4,-1.2 2,-0.2 -1,-0.3 0.891 112.4 43.6 -76.2 -40.6 14.8 -18.8 56.3 79 84 A H H <> S+ 0 0 131 -3,-1.2 4,-2.3 -7,-0.4 3,-0.4 0.951 113.5 53.4 -67.7 -44.9 18.1 -17.5 57.7 80 85 A X H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.898 109.2 46.8 -54.2 -46.5 16.6 -14.0 58.0 81 86 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.3 0.795 109.4 57.7 -65.0 -28.0 13.6 -15.4 60.0 82 87 A D H X S+ 0 0 37 -4,-1.2 4,-0.7 -3,-0.4 -2,-0.2 0.883 105.3 49.1 -67.5 -42.6 16.3 -17.2 62.0 83 88 A R H < S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.843 113.1 48.1 -67.3 -32.7 18.0 -13.9 62.8 84 89 A N H >X S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 4,-1.5 0.852 98.1 63.6 -78.7 -36.0 14.7 -12.4 63.9 85 90 A R H 3< S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.764 99.4 60.7 -58.1 -24.6 13.4 -15.2 66.2 86 91 A R T 3< S+ 0 0 180 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 0.181 113.5 29.8 -89.8 14.9 16.4 -14.5 68.4 87 92 A I T <4 S+ 0 0 59 -3,-1.9 2,-0.2 1,-0.6 -2,-0.2 0.547 121.6 22.3-132.9 -61.4 15.5 -10.9 69.1 88 93 A K < - 0 0 23 -4,-1.5 -1,-0.6 1,-0.1 -31,-0.1 -0.711 69.5-125.8-111.1 162.1 11.8 -10.2 69.2 89 94 A K S S- 0 0 146 1,-0.3 -32,-1.3 -2,-0.2 -31,-0.5 0.945 83.6 -27.9 -72.9 -44.8 9.0 -12.7 69.7 90 95 A C S S- 0 0 29 -34,-0.2 -1,-0.3 -33,-0.1 -34,-0.2 -0.950 84.1 -66.8-165.2 157.0 7.1 -11.8 66.4 91 96 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -59,-0.1 -0.207 51.4-151.8 -55.2 141.2 6.6 -8.8 64.1 92 97 A E - 0 0 59 -61,-0.4 -59,-1.0 -81,-0.1 2,-0.5 -0.802 12.1-121.3-118.3 156.4 4.7 -5.8 65.6 93 98 A R B -c 33 0A 53 3,-0.3 -59,-0.2 -2,-0.3 3,-0.1 -0.847 12.1-150.6 -98.9 128.0 2.4 -3.1 64.2 94 99 A F S S+ 0 0 5 -61,-3.2 -1,-0.2 -2,-0.5 -60,-0.1 0.955 93.6 60.5 -57.3 -54.5 3.6 0.5 64.8 95 100 A Q S S+ 0 0 29 -62,-0.4 2,-1.0 1,-0.2 -1,-0.2 0.847 105.3 49.2 -40.6 -50.4 0.1 1.9 64.8 96 101 A D S S+ 0 0 112 -3,-0.1 -3,-0.3 2,-0.0 2,-0.3 -0.736 84.5 105.9 -97.5 86.2 -1.0 -0.3 67.8 97 102 A T - 0 0 40 -2,-1.0 -5,-0.0 -3,-0.1 -3,-0.0 -0.779 51.1-158.5-165.6 115.5 1.7 0.2 70.4 98 103 A K + 0 0 211 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.681 64.1 113.8 -68.8 -16.7 1.6 2.1 73.7 99 104 A E - 0 0 82 1,-0.1 2,-0.4 0, 0.0 -2,-0.1 -0.221 53.7-155.7 -55.5 140.3 5.4 2.3 73.6 100 105 A Q - 0 0 63 -96,-0.0 2,-0.2 2,-0.0 -97,-0.1 -0.980 12.6-178.7-133.2 141.6 6.9 5.7 73.1 101 106 A F - 0 0 2 -2,-0.4 -97,-0.2 1,-0.1 3,-0.1 -0.598 32.7-135.8-122.0 178.9 10.2 7.0 71.8 102 107 A D S S+ 0 0 37 -99,-2.1 29,-3.5 1,-0.3 2,-0.4 0.633 96.9 32.4-108.8 -27.9 12.3 10.2 71.2 103 108 A I E -bd 4 131A 1 -100,-1.3 -98,-1.3 27,-0.2 2,-0.5 -0.991 61.9-174.0-137.6 124.6 13.5 9.2 67.7 104 109 A I E -bd 5 132A 0 27,-2.6 29,-1.0 -2,-0.4 2,-0.8 -0.875 10.2-163.7-121.6 96.7 11.6 7.1 65.2 105 110 A V E -bd 6 133A 1 -100,-1.6 -98,-1.7 -2,-0.5 29,-0.2 -0.702 5.3-166.1 -88.1 108.7 13.6 6.3 62.1 106 111 A T E -bd 7 134A 0 27,-2.1 29,-2.1 -2,-0.8 -98,-0.2 -0.515 13.0-146.1 -85.7 161.3 11.5 5.1 59.2 107 112 A V S S+ 0 0 1 -100,-1.7 30,-1.5 27,-0.2 2,-0.3 0.248 73.7 33.1-114.6 11.6 13.2 3.4 56.2 108 113 A E S > S- 0 0 57 28,-0.2 4,-1.9 -101,-0.2 3,-0.2 -0.956 73.5-123.2-161.6 148.1 11.1 4.4 53.1 109 114 A E H > S+ 0 0 107 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.951 110.5 60.1 -62.9 -49.3 9.3 7.6 52.3 110 115 A R H > S+ 0 0 180 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.845 111.0 40.9 -44.0 -44.1 6.0 5.8 51.8 111 116 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.847 104.6 65.6 -73.0 -41.3 6.2 4.6 55.4 112 117 A Y H X S+ 0 0 26 -4,-1.9 4,-1.2 1,-0.3 -1,-0.2 0.833 100.9 52.6 -49.8 -37.1 7.4 7.9 56.7 113 118 A D H X S+ 0 0 69 -4,-1.8 4,-2.6 2,-0.2 -1,-0.3 0.877 109.7 47.3 -71.1 -37.3 4.0 9.2 55.6 114 119 A L H X S+ 0 0 58 -4,-0.8 4,-1.9 -3,-0.3 -2,-0.2 0.895 109.5 52.2 -70.3 -40.8 2.1 6.5 57.6 115 120 A V H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.825 117.7 38.5 -64.5 -32.6 4.1 6.9 60.8 116 121 A V H >X S+ 0 0 20 -4,-1.2 4,-1.8 -5,-0.3 3,-0.6 0.934 110.7 57.8 -79.8 -52.7 3.4 10.6 60.8 117 122 A X H 3< S+ 0 0 127 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.797 114.9 40.3 -45.8 -37.5 -0.2 10.3 59.5 118 123 A H H >X S+ 0 0 45 -4,-1.9 3,-1.1 2,-0.2 4,-0.6 0.721 105.6 63.1 -87.2 -26.1 -0.9 8.2 62.6 119 124 A X H << S+ 0 0 7 -4,-0.8 -2,-0.2 -3,-0.6 70,-0.2 0.778 102.4 53.2 -66.3 -28.6 1.2 10.3 65.0 120 125 A E T 3< S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.464 91.9 84.2 -84.4 -6.7 -1.2 13.1 64.3 121 126 A S T <4 S+ 0 0 88 -3,-1.1 -2,-0.2 -5,-0.2 -1,-0.1 0.979 95.1 18.3 -60.3 -86.2 -4.1 10.7 65.2 122 127 A X < - 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0 0 80 0, 0.0 8,-1.2 0, 0.0 -1,-0.2 0.074 54.0-164.3 -50.0 165.6 8.6 33.7 28.8 233 47 B G E -L 239 0D 17 6,-0.3 0, 0.0 2,-0.3 0, 0.0 -0.758 33.0 -85.2-143.6-170.8 6.9 36.6 30.6 234 48 B X S S+ 0 0 101 4,-1.1 2,-0.2 -2,-0.2 -1,-0.1 0.983 108.3 31.6 -64.0 -63.6 6.9 39.2 33.4 235 49 B A S > S- 0 0 42 3,-0.5 3,-1.4 1,-0.1 -2,-0.3 -0.478 91.5-107.1 -93.0 167.2 5.4 37.0 36.2 236 50 B F T 3 S+ 0 0 207 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.753 126.4 36.3 -62.5 -26.5 5.9 33.2 36.6 237 51 B D T 3 S+ 0 0 88 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.011 104.6 75.4-116.6 24.4 2.2 33.0 35.5 238 52 B K < + 0 0 125 -3,-1.4 -4,-1.1 2,-0.0 -3,-0.5 -0.593 58.3 158.0-140.0 75.5 2.2 35.8 32.8 239 53 B P E -L 233 0D 42 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.608 46.4-102.2 -97.3 158.2 4.0 34.7 29.6 240 54 B N E -L 231 0D 14 -8,-1.2 -9,-3.1 -9,-1.0 2,-0.4 -0.668 40.6-171.3 -82.5 127.6 3.6 36.1 26.1 241 55 B V E +L 230 0D 50 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.969 5.6 178.3-123.7 139.6 1.4 33.9 23.9 242 56 B Y E -L 229 0D 28 -13,-3.7 -13,-1.8 -2,-0.4 2,-0.2 -0.900 32.5 -90.4-139.2 167.2 0.9 34.2 20.1 243 57 B E > - 0 0 146 -2,-0.3 2,-1.8 -15,-0.2 3,-1.5 -0.503 39.8-116.1 -76.8 138.4 -0.8 32.7 17.1 244 58 B F T 3 S+ 0 0 35 1,-0.2 40,-0.4 -17,-0.2 -1,-0.1 0.019 109.7 50.6 -67.0 33.6 1.1 30.1 15.0 245 59 B G T 3 S+ 0 0 42 -2,-1.8 -1,-0.2 38,-0.1 3,-0.1 0.484 77.1 118.0-139.8 -21.9 1.2 32.3 12.0 246 60 B T S < S- 0 0 36 -3,-1.5 5,-0.0 1,-0.1 -4,-0.0 -0.159 70.8-106.0 -55.1 136.1 2.5 35.6 13.2 247 61 B K > - 0 0 70 34,-0.2 4,-1.1 1,-0.1 34,-0.3 -0.304 19.1-128.7 -62.7 148.5 5.8 36.8 11.9 248 62 B Y H > S+ 0 0 0 32,-2.8 4,-1.2 2,-0.2 -1,-0.1 0.814 110.1 61.2 -65.5 -30.9 8.8 36.5 14.2 249 63 B E H >> S+ 0 0 58 31,-0.5 4,-2.2 1,-0.2 3,-1.8 0.986 102.4 48.3 -56.9 -61.0 9.3 40.2 13.5 250 64 B D H 3> S+ 0 0 72 1,-0.3 4,-2.5 2,-0.3 -1,-0.2 0.712 107.3 55.5 -52.5 -28.2 5.9 41.3 14.8 251 65 B I H 3X S+ 0 0 3 -4,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.804 109.7 48.3 -76.5 -26.6 6.5 39.3 17.9 252 66 B Y H < S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.820 112.7 57.9 -63.1 -31.0 7.8 42.8 22.9 256 70 B E H 3X S+ 0 0 66 -4,-1.9 4,-0.7 1,-0.3 -2,-0.2 0.942 98.6 57.6 -63.6 -49.9 9.6 46.0 22.0 257 71 B S T 3< S+ 0 0 93 -4,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.407 116.6 40.8 -63.5 3.1 6.5 48.2 22.5 258 72 B K T <4 S- 0 0 94 -3,-1.0 2,-3.6 -5,-0.2 3,-0.2 -0.052 128.8 -5.3-121.4-134.2 6.5 46.9 26.0 259 73 B D T > + 0 0 73 1,-0.2 4,-2.7 -2,-0.1 5,-0.4 -0.238 67.8 170.8 -64.9 62.0 9.3 46.2 28.5 260 74 B K H X S+ 0 0 92 -2,-3.6 4,-1.1 -4,-0.7 -1,-0.2 0.851 78.1 42.4 -38.1 -49.6 12.0 47.1 25.8 261 75 B E H >> S+ 0 0 124 -3,-0.2 4,-1.8 2,-0.2 3,-1.3 0.995 112.5 50.5 -65.1 -62.8 14.6 47.0 28.6 262 76 B F H 3> S+ 0 0 75 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.855 113.0 46.4 -42.5 -50.3 13.4 43.9 30.4 263 77 B Y H 3< S+ 0 0 1 -4,-2.7 6,-1.7 1,-0.2 7,-0.4 0.701 108.4 52.4 -72.6 -22.1 13.2 41.8 27.2 264 78 B T H << S+ 0 0 60 -3,-1.3 -1,-0.2 -4,-1.1 -2,-0.2 0.771 113.2 49.8 -80.9 -22.7 16.6 42.8 25.8 265 79 B Q H < S+ 0 0 119 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.1 0.832 108.9 46.7 -82.0 -36.2 18.0 41.8 29.2 266 80 B N S < S- 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.403 113.2-118.1 -86.2 0.3 16.4 38.3 29.5 267 81 B G S >> S+ 0 0 24 -5,-0.2 4,-2.0 -4,-0.2 3,-0.7 0.027 79.4 122.6 90.2 -28.7 17.5 37.6 26.0 268 82 B L H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.808 75.8 49.0 -33.0 -53.4 14.0 37.1 24.4 269 83 B L H 3> S+ 0 0 4 -6,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.915 108.4 52.0 -59.8 -47.9 14.6 39.9 21.8 270 84 B H H <> S+ 0 0 122 -3,-0.7 4,-2.9 -7,-0.4 3,-0.2 0.963 113.1 45.5 -52.7 -53.9 18.0 38.6 20.7 271 85 B X H X S+ 0 0 20 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.884 113.3 50.5 -57.7 -40.0 16.5 35.1 20.2 272 86 B L H X S+ 0 0 1 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.843 111.6 48.1 -65.9 -34.4 13.5 36.7 18.4 273 87 B D H X S+ 0 0 49 -4,-2.7 4,-0.8 -3,-0.2 -2,-0.2 0.880 106.1 56.9 -73.3 -40.3 15.8 38.7 16.2 274 88 B R H < S+ 0 0 23 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.726 106.4 52.4 -65.7 -19.8 17.9 35.6 15.4 275 89 B N H >X S+ 0 0 0 -4,-0.9 3,-2.5 -5,-0.2 4,-1.8 0.858 95.0 63.8 -85.3 -36.0 14.8 33.9 14.1 276 90 B R H 3< S+ 0 0 32 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 99.7 60.7 -55.4 -25.9 13.6 36.6 11.6 277 91 B R T 3< S+ 0 0 27 -4,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.500 114.8 28.8 -80.9 -6.1 16.8 35.8 9.8 278 92 B I T <4 S+ 0 0 33 -3,-2.5 2,-0.3 1,-0.5 -2,-0.2 0.746 127.8 12.5-116.1 -59.7 16.0 32.2 9.2 279 93 B K < - 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0 0 96 -2,-0.3 3,-1.0 -15,-0.2 -15,-0.1 -0.324 43.3-112.8 -62.9 147.5 53.4 25.6 55.7 435 58 C F T 3 S+ 0 0 27 -17,-0.3 40,-0.4 1,-0.2 -1,-0.1 0.205 112.7 50.2 -73.5 21.3 51.0 27.0 58.4 436 59 C G T 3 S+ 0 0 36 38,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.543 76.3 118.6-130.4 -15.4 49.6 29.4 55.9 437 60 C T S < S- 0 0 33 -3,-1.0 2,-0.2 1,-0.1 5,-0.1 -0.171 70.5-105.3 -57.6 141.0 48.7 27.4 52.9 438 61 C K >> - 0 0 57 1,-0.2 4,-1.9 34,-0.2 3,-0.8 -0.460 9.4-140.2 -74.0 139.5 45.0 27.3 52.0 439 62 C Y H >> S+ 0 0 0 32,-0.7 4,-2.1 1,-0.3 3,-1.3 0.989 112.0 62.8 -53.5 -55.4 43.0 24.2 52.7 440 63 C E H 3> S+ 0 0 3 31,-0.5 4,-1.3 1,-0.3 -1,-0.3 0.808 107.6 42.8 -36.2 -36.6 41.6 25.1 49.4 441 64 C D H <> S+ 0 0 41 -3,-0.8 4,-2.4 2,-0.2 -1,-0.3 0.768 103.0 60.8 -85.8 -28.3 45.1 24.5 48.2 442 65 C I H < S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.944 116.7 52.6 -63.9 -52.1 46.1 15.9 47.2 447 70 C E H 3X S+ 0 0 67 -4,-3.1 4,-1.0 1,-0.3 -2,-0.2 0.915 98.8 64.0 -50.1 -52.3 43.4 15.7 44.6 448 71 C S T 3< S+ 0 0 76 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.548 115.2 35.2 -52.7 -8.2 45.9 16.1 41.7 449 72 C K T <4 S+ 0 0 103 -3,-2.1 2,-3.3 -5,-0.1 3,-0.2 0.227 132.5 2.0-113.8-119.8 47.3 12.8 43.0 450 73 C D T > + 0 0 60 1,-0.2 4,-1.9 2,-0.1 5,-0.4 -0.135 68.6 173.2 -69.4 50.3 45.3 9.9 44.5 451 74 C K T < S+ 0 0 95 -2,-3.3 4,-0.5 -4,-1.0 -1,-0.2 0.650 79.9 40.2 -29.7 -28.6 42.0 11.8 43.9 452 75 C E T >> S+ 0 0 125 -3,-0.2 3,-2.2 2,-0.1 4,-1.6 0.897 108.8 54.8 -88.1 -72.7 40.3 8.6 44.9 453 76 C F H 3> S+ 0 0 62 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.742 113.0 45.3 -25.5 -51.6 42.4 7.4 47.8 454 77 C Y H 3< S+ 0 0 3 -4,-1.9 6,-1.6 2,-0.2 7,-0.3 0.751 108.9 51.1 -73.6 -28.8 42.0 10.7 49.6 455 78 C T H <4 S+ 0 0 49 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.603 113.3 52.9 -79.9 -11.6 38.2 11.2 49.1 456 79 C Q H < S+ 0 0 86 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.799 107.2 45.7 -90.5 -37.4 38.1 7.7 50.5 457 80 C N S < S- 0 0 65 -4,-1.5 2,-0.7 -5,-0.3 -2,-0.2 0.331 114.4-116.1 -88.4 8.0 40.1 8.3 53.7 458 81 C G S >> S+ 0 0 28 -5,-0.1 4,-2.2 -4,-0.1 3,-1.6 -0.281 82.4 118.5 92.7 -48.7 38.1 11.4 54.3 459 82 C L H 3> S+ 0 0 12 -2,-0.7 4,-3.1 1,-0.3 -4,-0.2 0.636 78.2 45.6 -20.6 -51.8 40.9 14.0 54.0 460 83 C L H 3> S+ 0 0 2 -6,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.941 114.2 47.2 -68.6 -45.3 39.4 15.8 51.0 461 84 C H H <> S+ 0 0 65 -3,-1.6 4,-1.9 -7,-0.3 -2,-0.2 0.921 114.5 49.6 -60.0 -41.7 35.9 15.9 52.5 462 85 C X H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.958 109.1 50.3 -60.8 -50.4 37.5 17.1 55.7 463 86 C L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.3 -1,-0.2 0.739 109.4 54.5 -61.3 -20.2 39.5 19.8 53.8 464 87 C D H < S+ 0 0 49 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.874 104.1 52.4 -80.4 -37.0 36.2 20.7 52.2 465 88 C R H >< S+ 0 0 33 -4,-1.9 3,-1.1 -3,-0.5 4,-0.4 0.901 111.4 48.4 -63.2 -41.6 34.5 21.2 55.6 466 89 C N H >X S+ 0 0 0 -4,-2.1 3,-3.8 1,-0.3 4,-1.1 0.981 98.6 62.8 -65.4 -56.0 37.3 23.5 56.7 467 90 C R T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.421 103.1 56.4 -51.4 8.1 37.4 25.7 53.6 468 91 C R T <4 S+ 0 0 107 -3,-1.1 -1,-0.3 -2,-0.2 -2,-0.2 0.548 118.1 28.4-111.9 -18.5 33.8 26.6 54.7 469 92 C I T <4 S+ 0 0 53 -3,-3.8 2,-0.3 1,-0.4 -2,-0.2 0.807 130.9 18.1-100.8 -69.9 34.7 27.8 58.2 470 93 C K < - 0 0 19 -4,-1.1 -1,-0.4 1,-0.1 -31,-0.1 -0.739 67.1-134.8-106.2 152.1 38.3 29.1 58.0 471 94 C K S S- 0 0 82 1,-0.3 -32,-0.7 -2,-0.3 -31,-0.5 0.713 85.0 -16.0 -81.3 -18.0 40.1 30.1 54.9 472 95 C C S S- 0 0 26 -34,-0.2 -1,-0.3 -33,-0.1 -34,-0.2 -0.905 82.6 -79.3-178.5 152.3 43.3 28.2 55.9 473 96 C P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -59,-0.1 -0.220 43.3-156.9 -63.9 148.3 44.9 26.6 59.0 474 97 C E - 0 0 61 -61,-0.4 -59,-0.9 -38,-0.0 2,-0.3 -0.981 12.2-126.8-133.0 143.1 46.7 28.9 61.5 475 98 C R B > -o 415 0E 54 -40,-0.4 3,-0.5 -2,-0.4 -59,-0.2 -0.671 12.0-142.4 -86.7 137.8 49.5 28.3 64.1 476 99 C F T 3 S+ 0 0 7 -61,-4.3 3,-0.3 -2,-0.3 -60,-0.2 0.952 94.7 63.7 -65.3 -52.3 48.9 29.4 67.7 477 100 C Q T 3 S+ 0 0 30 -62,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.748 104.5 51.9 -45.4 -27.6 52.4 30.6 68.4 478 101 C D S < S+ 0 0 112 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.656 81.4 107.0-115.4 77.1 52.0 33.3 65.8 479 102 C T - 0 0 36 -2,-0.6 -65,-0.0 -3,-0.3 -3,-0.0 -0.868 49.1-159.1-154.2 118.8 48.8 35.1 66.5 480 103 C K + 0 0 208 -2,-0.3 2,-0.3 2,-0.0 -3,-0.0 0.189 66.0 105.6 -81.2 21.6 48.3 38.6 67.9 481 104 C E - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.693 55.1-152.5 -99.5 152.6 44.7 37.7 69.0 482 105 C Q - 0 0 73 -2,-0.3 2,-0.2 -96,-0.0 -97,-0.1 -0.958 9.0-170.3-131.1 149.9 43.6 37.0 72.5 483 106 C F - 0 0 5 -2,-0.4 -97,-0.2 1,-0.1 3,-0.1 -0.651 29.3-135.7-122.8 179.9 40.8 35.0 74.2 484 107 C D S S+ 0 0 30 -99,-2.7 29,-2.7 1,-0.3 2,-0.4 0.616 97.0 32.2-106.3 -28.2 39.2 34.5 77.5 485 108 C I E -np 386 513E 0 -100,-1.3 -98,-1.7 27,-0.2 2,-0.6 -0.988 64.1-169.5-138.1 124.5 39.2 30.7 77.2 486 109 C I E -np 387 514E 0 27,-4.3 29,-3.0 -2,-0.4 2,-0.7 -0.957 7.7-162.6-116.9 119.0 41.7 28.5 75.5 487 110 C V E -np 388 515E 0 -100,-2.8 -98,-3.2 -2,-0.6 2,-0.5 -0.883 3.1-169.2-106.3 114.5 40.8 24.9 75.0 488 111 C T E -np 389 516E 0 27,-3.0 29,-2.0 -2,-0.7 -98,-0.2 -0.878 10.3-157.1 -99.3 128.8 43.7 22.5 74.2 489 112 C V S S+ 0 0 2 -100,-1.2 30,-1.5 -2,-0.5 2,-0.4 0.550 73.4 48.4 -83.8 -5.1 42.5 19.1 73.1 490 113 C E S > S- 0 0 70 -101,-0.4 4,-3.0 28,-0.2 5,-0.2 -0.990 75.3-129.7-140.0 143.3 45.7 17.3 74.0 491 114 C E H > S+ 0 0 105 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.884 114.4 51.6 -54.4 -38.7 48.0 17.2 77.0 492 115 C R H > S+ 0 0 186 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.937 111.3 46.4 -64.8 -45.4 50.9 17.9 74.7 493 116 C V H >> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.925 108.4 56.7 -61.2 -45.8 49.1 20.9 73.1 494 117 C Y H 3X S+ 0 0 22 -4,-3.0 4,-2.0 1,-0.3 5,-0.2 0.924 108.0 47.2 -51.5 -51.1 48.2 22.3 76.5 495 118 C D H 3X S+ 0 0 70 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.689 113.1 47.7 -68.1 -21.2 51.8 22.4 77.6 496 119 C L H < S+ 0 0 46 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.933 111.2 55.8 -73.1 -47.9 54.2 30.1 74.5 501 124 C X H 3< S+ 0 0 20 -4,-1.9 2,-2.0 1,-0.3 -2,-0.2 0.919 102.3 58.7 -47.9 -49.7 51.8 32.1 76.7 502 125 C E T 3< S+ 0 0 136 -4,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.252 89.6 85.4 -78.5 49.7 54.6 32.3 79.3 503 126 C S S < S+ 0 0 81 -2,-2.0 -2,-0.1 -3,-0.7 -1,-0.1 0.517 95.1 8.4-109.3 -95.2 56.8 34.0 76.8 504 127 C X S S- 0 0 108 -4,-0.3 -1,-0.2 1,-0.0 2,-0.2 0.201 71.1-138.2 -70.0-164.4 56.3 37.7 76.7 505 128 C E - 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