==== 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 TRANSFERASE 05-JUN-03 1PK9 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI O15 . AUTHOR E.M.BENNETT,C.LI,P.W.ALLAN,W.B.PARKER,S.E.EALICK . 711 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 6 0.8 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 . 55 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 3 1 1 2 0 2 4 0 2 4 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 3 0 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 0 1 5 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 2 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 A 0 0 72 0, 0.0 5,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 140.0 111.5 50.2 34.6 2 2 A T B > -A 5 0A 18 3,-2.7 3,-0.6 5,-0.0 5,-0.1 -0.656 360.0 -90.6-111.9 172.0 108.4 49.3 32.7 3 3 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.818 126.5 23.1 -51.9 -32.9 108.1 48.5 28.9 4 4 A H T 3 S+ 0 0 40 1,-0.2 2,-0.4 67,-0.1 41,-0.1 0.396 119.4 58.9-117.4 3.0 107.4 52.1 28.1 5 5 A I B < -A 2 0A 0 -3,-0.6 -3,-2.7 2,-0.1 2,-1.7 -0.903 61.5-158.1-137.9 107.3 109.0 54.0 31.0 6 6 A N + 0 0 100 -2,-0.4 2,-0.3 -5,-0.2 35,-0.1 -0.572 59.1 94.2 -85.3 78.1 112.7 53.7 31.8 7 7 A A - 0 0 4 -2,-1.7 2,-0.3 33,-0.1 -2,-0.1 -0.918 64.3-116.6-153.7 175.3 112.6 54.8 35.4 8 8 A E > - 0 0 108 -2,-0.3 3,-2.6 -7,-0.1 4,-0.3 -0.835 44.8 -75.7-122.1 159.9 112.3 53.5 39.0 9 9 A M T 3 S+ 0 0 126 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 -0.248 120.1 34.0 -50.9 132.3 109.8 53.8 41.8 10 10 A G T 3 S+ 0 0 35 70,-0.3 -1,-0.3 2,-0.2 70,-0.1 0.103 89.1 97.3 105.6 -22.0 110.3 57.3 43.4 11 11 A D S < S+ 0 0 49 -3,-2.6 2,-0.3 28,-0.1 -2,-0.1 0.833 80.9 56.0 -69.4 -31.3 111.2 59.0 40.1 12 12 A F S S- 0 0 5 -4,-0.3 -2,-0.2 68,-0.2 37,-0.1 -0.767 85.2-122.9-103.3 147.9 107.6 60.2 39.6 13 13 A A - 0 0 1 -2,-0.3 44,-0.1 2,-0.3 -3,-0.1 -0.271 34.8-105.5 -74.4 172.5 105.5 62.3 42.1 14 14 A D S S+ 0 0 62 42,-0.2 69,-2.5 68,-0.2 70,-2.0 0.500 109.3 59.1 -80.1 -1.3 102.2 60.8 43.2 15 15 A V E -b 84 0B 2 41,-0.2 43,-1.6 68,-0.2 2,-0.4 -0.996 69.2-172.7-128.1 128.6 100.5 63.4 40.9 16 16 A V E -bc 85 58B 0 68,-2.3 70,-2.7 -2,-0.4 2,-0.4 -0.983 13.3-153.1-128.9 128.7 101.1 63.5 37.2 17 17 A L E -bc 86 59B 1 41,-2.6 43,-1.8 -2,-0.4 70,-0.2 -0.800 19.3-165.3 -93.1 135.8 99.9 66.1 34.6 18 18 A M E -b 87 0B 0 68,-2.8 70,-1.9 -2,-0.4 43,-0.2 -0.918 11.6-173.2-133.7 114.1 99.7 64.7 31.1 19 19 A P - 0 0 2 0, 0.0 43,-1.9 0, 0.0 44,-0.4 -0.568 28.9-129.6 -92.6 163.9 99.3 66.6 27.8 20 20 A G S S+ 0 0 16 68,-0.4 43,-1.0 41,-0.2 44,-0.1 0.904 94.8 70.4 -77.9 -42.0 98.7 64.8 24.5 21 21 A D S > S- 0 0 85 1,-0.2 3,-1.9 42,-0.1 4,-0.4 -0.661 74.9-151.7 -77.6 113.8 101.5 66.6 22.7 22 22 A P T >> S+ 0 0 42 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.823 93.2 66.4 -56.6 -31.9 104.8 65.2 24.1 23 23 A L H 3> S+ 0 0 134 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.754 90.6 65.2 -61.7 -23.9 106.5 68.6 23.3 24 24 A R H <> S+ 0 0 74 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.703 87.1 70.6 -72.6 -19.3 104.3 70.2 25.9 25 25 A A H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.2 0.928 100.2 43.4 -63.8 -47.1 105.9 68.3 28.7 26 26 A K H X S+ 0 0 93 -4,-0.6 4,-2.4 -3,-0.3 5,-0.2 0.875 112.4 54.5 -66.9 -37.9 109.2 70.1 28.5 27 27 A Y H X S+ 0 0 45 -4,-1.0 4,-2.6 1,-0.2 5,-0.2 0.931 109.6 46.5 -60.4 -47.4 107.4 73.5 28.2 28 28 A I H X>S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.8 0.879 112.3 50.6 -63.1 -40.3 105.4 72.9 31.3 29 29 A A H X5S+ 0 0 3 -4,-1.9 4,-1.0 3,-0.2 7,-0.2 0.925 116.2 40.3 -64.4 -46.3 108.5 71.7 33.3 30 30 A E H <5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.877 122.1 41.0 -70.7 -40.3 110.5 74.8 32.3 31 31 A T H <5S+ 0 0 68 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.860 131.7 15.0 -79.2 -38.8 107.6 77.3 32.6 32 32 A F H <5S+ 0 0 37 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.674 106.5 76.5-113.7 -21.1 105.9 76.1 35.8 33 33 A L << - 0 0 12 -4,-1.0 2,-0.3 -5,-0.8 3,-0.3 -0.660 62.1-139.1 -99.7 153.2 108.1 73.7 37.8 34 34 A E E S+D 51 0B 124 17,-2.5 17,-1.7 -2,-0.3 -3,-0.0 -0.780 81.2 2.2-103.8 149.9 111.1 74.4 40.0 35 35 A D E S- 0 0 141 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.796 86.1-172.4 44.6 42.0 114.3 72.2 40.1 36 36 A A E - 0 0 48 -3,-0.3 2,-0.3 -7,-0.2 14,-0.2 -0.338 8.1-168.7 -68.2 141.5 112.9 69.9 37.3 37 37 A R E -D 49 0B 116 12,-2.2 12,-2.1 -2,-0.1 2,-0.3 -0.973 25.5-111.4-130.5 145.5 114.8 66.8 36.3 38 38 A E E +D 48 0B 110 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.591 36.1 167.4 -77.3 132.9 114.3 64.4 33.4 39 39 A V E + 0 0 16 8,-2.8 2,-0.3 -2,-0.3 9,-0.2 0.465 58.9 29.1-124.8 -5.4 113.0 61.0 34.3 40 40 A N E +D 47 0B 2 7,-1.1 7,-1.7 -35,-0.1 -1,-0.3 -0.984 36.4 156.5-157.0 146.7 111.9 59.3 30.9 41 41 A N > + 0 0 86 -2,-0.3 3,-2.2 5,-0.2 5,-0.2 0.309 32.2 138.7-147.2 -1.1 112.9 59.4 27.2 42 42 A V G > S- 0 0 37 1,-0.3 3,-2.3 3,-0.3 -38,-0.0 -0.272 85.5 -4.3 -56.1 132.9 111.6 56.0 25.9 43 43 A R G 3 S- 0 0 207 1,-0.3 -1,-0.3 -38,-0.0 3,-0.1 0.639 127.2 -68.7 56.7 16.1 110.0 56.4 22.5 44 44 A G G < S+ 0 0 46 -3,-2.2 2,-1.6 1,-0.2 -1,-0.3 0.555 95.9 138.6 83.2 5.9 110.4 60.1 22.8 45 45 A M < - 0 0 18 -3,-2.3 -3,-0.3 -41,-0.1 -1,-0.2 -0.636 42.9-155.7 -86.6 83.7 107.9 60.5 25.6 46 46 A L - 0 0 51 -2,-1.6 15,-0.8 -5,-0.2 2,-0.4 -0.402 10.9-168.7 -65.5 128.2 109.8 62.9 27.7 47 47 A G E -DE 40 60B 0 -7,-1.7 -8,-2.8 -2,-0.2 -7,-1.1 -0.930 3.5-172.2-120.4 144.2 108.9 62.9 31.4 48 48 A F E -DE 38 59B 13 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.969 9.5-160.8-136.1 150.9 109.9 65.5 34.1 49 49 A T E +DE 37 58B 0 -12,-2.1 -12,-2.2 -2,-0.3 9,-0.2 -0.998 32.3 121.1-133.5 131.2 109.7 65.8 37.9 50 50 A G E - E 0 57B 4 7,-3.0 7,-3.0 -2,-0.4 2,-0.3 -0.723 50.8 -79.7-157.2-153.3 109.9 69.0 40.0 51 51 A T E -DE 34 56B 39 -17,-1.7 -17,-2.5 5,-0.3 2,-0.5 -0.963 15.0-159.7-134.1 151.2 108.0 71.1 42.4 52 52 A Y E > S- E 0 55B 20 3,-2.6 3,-2.2 -2,-0.3 -19,-0.1 -0.973 88.7 -22.5-127.9 111.8 105.2 73.7 42.4 53 53 A K T 3 S- 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.900 130.7 -48.6 51.5 44.4 105.1 75.9 45.5 54 54 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.193 113.0 122.9 85.3 -16.0 106.9 73.1 47.3 55 55 A R E < - E 0 52B 44 -3,-2.2 -3,-2.6 1,-0.1 2,-0.3 -0.668 66.2-121.1 -84.8 128.5 104.6 70.4 46.1 56 56 A K E + E 0 51B 84 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.515 41.7 172.3 -69.3 126.2 106.2 67.5 44.2 57 57 A I E - E 0 50B 3 -7,-3.0 -7,-3.0 -2,-0.3 2,-0.3 -0.985 18.5-159.2-138.2 148.6 104.8 67.3 40.6 58 58 A S E -cE 16 49B 0 -43,-1.6 -41,-2.6 -2,-0.3 2,-0.3 -0.892 3.9-165.5-124.3 155.2 105.5 65.3 37.5 59 59 A V E +cE 17 48B 1 -11,-2.6 -11,-2.9 -2,-0.3 2,-0.3 -0.992 17.7 150.9-144.1 134.2 104.6 65.9 33.8 60 60 A M E - E 0 47B 0 -43,-1.8 -13,-0.2 -2,-0.3 -15,-0.1 -0.946 40.8-108.1-160.8 140.9 104.8 63.6 30.8 61 61 A G - 0 0 0 -15,-0.8 -41,-0.2 -2,-0.3 -40,-0.1 -0.230 16.1-160.5 -69.5 161.3 102.9 63.2 27.5 62 62 A H - 0 0 0 -43,-1.9 10,-0.2 1,-0.1 -42,-0.2 0.540 33.2-125.9-119.0 -11.2 100.4 60.4 26.8 63 63 A G - 0 0 11 -43,-1.0 2,-0.3 -44,-0.4 6,-0.2 0.057 39.8 -58.4 82.9 162.5 100.0 60.3 23.0 64 64 A M S S+ 0 0 161 4,-0.1 4,-0.3 -44,-0.1 117,-0.1 -0.592 96.3 28.8 -82.8 138.4 96.8 60.5 20.9 65 65 A G S > S- 0 0 8 -2,-0.3 4,-2.1 2,-0.1 5,-0.2 0.131 85.8 -87.5 97.7 148.8 94.1 58.0 21.5 66 66 A I H > S+ 0 0 0 114,-0.2 4,-2.1 1,-0.2 5,-0.2 0.880 121.0 56.1 -58.3 -43.4 92.8 55.7 24.2 67 67 A P H > S+ 0 0 89 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.919 110.1 45.3 -59.2 -42.3 95.2 52.9 23.5 68 68 A S H >> S+ 0 0 34 -4,-0.3 4,-1.5 1,-0.2 3,-0.7 0.966 115.5 43.6 -66.1 -53.4 98.2 55.1 23.9 69 69 A C H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.802 107.0 63.0 -64.5 -26.4 97.2 56.8 27.1 70 70 A S H 3X S+ 0 0 19 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.854 102.4 50.5 -65.9 -35.9 96.0 53.5 28.6 71 71 A I H S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 5,-0.6 0.887 111.5 52.5 -61.0 -40.7 102.2 51.7 34.2 76 76 A L H X5S+ 0 0 0 -4,-2.3 6,-1.9 -5,-0.2 4,-1.3 0.929 114.7 42.7 -60.1 -45.5 102.4 55.0 36.3 77 77 A I H <5S+ 0 0 21 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.941 122.4 34.4 -68.8 -49.7 99.7 53.7 38.6 78 78 A T H <5S+ 0 0 56 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.771 131.7 26.5 -81.3 -25.8 100.8 50.1 39.1 79 79 A D H <5S+ 0 0 71 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.640 126.2 37.1-113.2 -16.1 104.6 50.5 39.0 80 80 A F S < S- 0 0 14 80,-0.3 3,-0.9 81,-0.2 -2,-0.0 -0.611 72.0-135.4 -84.4 140.7 77.3 73.3 21.4 96 96 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.914 103.6 50.8 -59.2 -46.8 76.5 76.9 20.3 97 97 A H T 3 S+ 0 0 109 2,-0.1 2,-0.7 -3,-0.0 -2,-0.0 0.554 89.9 90.1 -72.0 -8.7 77.1 78.5 23.7 98 98 A V < - 0 0 0 -3,-0.9 2,-0.2 4,-0.0 -5,-0.1 -0.822 68.9-161.5 -92.3 114.2 80.5 76.8 24.1 99 99 A K > - 0 0 122 -2,-0.7 3,-2.1 1,-0.1 103,-0.3 -0.564 25.6 -81.4-100.8 160.8 83.1 79.2 22.7 100 100 A L T 3 S+ 0 0 32 1,-0.3 103,-0.2 -2,-0.2 -1,-0.1 -0.215 115.5 20.0 -54.4 140.5 86.7 79.0 21.5 101 101 A R T 3 S+ 0 0 78 101,-3.2 -1,-0.3 1,-0.3 102,-0.1 0.417 88.7 144.4 76.8 -0.6 89.3 79.1 24.3 102 102 A D < - 0 0 29 -3,-2.1 100,-2.7 100,-0.1 2,-0.6 -0.353 49.5-128.0 -65.3 152.1 86.7 78.0 26.8 103 103 A V E -hI 148 201B 7 44,-0.6 46,-1.8 98,-0.2 2,-0.4 -0.918 28.5-171.5-104.8 122.7 88.0 75.8 29.6 104 104 A V E -hI 149 200B 0 96,-3.5 96,-3.1 -2,-0.6 2,-0.5 -0.916 12.4-154.2-118.8 145.1 85.9 72.6 30.1 105 105 A I E -hI 150 199B 0 44,-2.9 46,-2.1 -2,-0.4 2,-1.2 -0.969 14.7-138.7-119.0 122.9 86.2 70.0 32.9 106 106 A G E +h 151 0B 0 92,-2.4 92,-0.5 -2,-0.5 46,-0.2 -0.651 27.1 169.8 -87.3 94.4 85.0 66.4 32.2 107 107 A M E S+ 0 0 101 44,-1.3 22,-2.6 -2,-1.2 2,-0.3 0.841 81.9 10.8 -67.2 -28.5 83.1 65.1 35.2 108 108 A G E S-hJ 152 128B 7 43,-1.4 45,-1.8 20,-0.3 2,-0.4 -0.933 70.1-147.2-142.9 164.4 82.2 62.2 32.8 109 109 A A E -h 153 0B 8 18,-2.1 18,-0.4 -2,-0.3 45,-0.2 -0.930 5.0-158.8-143.6 117.4 83.3 61.0 29.4 110 110 A C E -h 154 0B 45 43,-3.3 45,-2.9 -2,-0.4 73,-0.3 -0.321 22.8-177.8 -79.8 170.6 81.2 59.2 26.7 111 111 A T E -h 155 0B 41 43,-0.2 45,-0.2 2,-0.1 69,-0.0 -0.992 43.1-146.8-168.5 159.9 82.9 57.1 24.0 112 112 A D S S+ 0 0 84 43,-1.2 2,-0.1 -2,-0.3 44,-0.1 0.194 72.2 107.9-112.7 10.5 82.6 55.0 20.9 113 113 A S - 0 0 14 42,-0.4 4,-0.2 1,-0.1 3,-0.1 -0.424 66.1-141.2 -82.0 163.3 85.6 52.8 22.0 114 114 A K S > S+ 0 0 82 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 0.410 74.4 101.0-105.8 1.8 85.0 49.2 23.2 115 115 A V H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.859 83.9 44.2 -56.7 -42.5 87.6 49.2 26.0 116 116 A N H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.842 111.0 53.5 -74.5 -31.7 85.1 49.7 28.8 117 117 A R H 4>S+ 0 0 132 2,-0.2 5,-3.3 1,-0.2 6,-0.3 0.863 107.0 53.5 -67.8 -34.1 82.6 47.1 27.5 118 118 A I H <5S+ 0 0 108 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.872 115.7 40.4 -66.1 -35.0 85.5 44.7 27.4 119 119 A R H <5S+ 0 0 84 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.863 117.5 47.5 -79.2 -38.7 86.1 45.6 31.1 120 120 A F T ><5S- 0 0 99 -4,-3.2 3,-1.9 3,-0.2 -1,-0.2 -0.136 115.5-101.0-100.9 38.2 82.5 45.7 32.1 121 121 A K T 3 5S- 0 0 176 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.848 79.5 -57.7 45.7 44.5 81.1 42.4 30.6 122 122 A D T 3 - 0 0 40 66,-2.0 4,-1.9 1,-0.1 3,-0.2 -0.729 38.3-138.5 -81.2 126.3 87.1 61.8 40.8 131 131 A F H > S+ 0 0 122 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.886 99.4 51.2 -54.3 -46.6 84.6 64.2 42.3 132 132 A D H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 109.4 51.3 -60.1 -40.4 87.0 66.0 44.7 133 133 A M H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 109.8 50.5 -63.4 -37.1 89.4 66.6 41.8 134 134 A V H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.953 112.2 46.2 -64.5 -48.4 86.6 68.1 39.8 135 135 A R H X S+ 0 0 118 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.848 110.4 54.1 -63.0 -34.9 85.6 70.4 42.6 136 136 A N H X S+ 0 0 17 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.917 108.9 48.2 -65.3 -43.2 89.3 71.4 43.1 137 137 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.881 111.4 50.7 -64.4 -39.8 89.6 72.4 39.5 138 138 A V H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.918 113.2 44.6 -64.5 -44.5 86.4 74.4 39.6 139 139 A D H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.871 112.4 51.8 -68.4 -38.1 87.5 76.3 42.7 140 140 A A H X S+ 0 0 3 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.915 110.2 49.0 -65.6 -42.3 91.0 76.9 41.4 141 141 A A H ><>S+ 0 0 1 -4,-2.2 5,-3.1 1,-0.2 3,-0.5 0.935 110.5 50.9 -62.0 -45.4 89.6 78.3 38.2 142 142 A K H ><5S+ 0 0 138 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.912 107.0 53.3 -57.5 -45.8 87.2 80.6 40.1 143 143 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.786 108.9 50.7 -61.3 -27.6 90.1 81.9 42.3 144 144 A L T <<5S- 0 0 59 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.296 120.4-111.5 -92.6 8.7 91.9 82.7 39.0 145 145 A G T < 5S+ 0 0 71 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.805 74.3 136.2 67.0 29.1 88.9 84.6 37.7 146 146 A I < - 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Z 0 528E 36 -3,-2.7 -3,-2.8 1,-0.0 2,-0.4 -0.725 65.3-122.1 -88.0 126.1 37.6 28.5 42.2 532 56 C K E + Z 0 527E 91 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.532 44.1 166.6 -69.9 124.6 40.3 30.1 44.4 533 57 C I E - Z 0 526E 1 -7,-2.4 -7,-3.1 -2,-0.4 2,-0.3 -0.991 23.1-154.0-143.7 148.6 42.0 32.9 42.6 534 58 C S E -xZ 492 525E 0 -43,-1.7 -41,-2.6 -2,-0.3 2,-0.3 -0.830 3.0-166.2-119.3 158.5 44.3 35.8 43.3 535 59 C V E +xZ 493 524E 1 -11,-2.4 -11,-2.1 -2,-0.3 2,-0.3 -0.947 16.2 161.3-147.9 122.7 44.9 39.2 41.6 536 60 C M E - Z 0 523E 0 -43,-2.1 -13,-0.2 -2,-0.3 -14,-0.1 -0.999 35.0-115.5-145.3 140.7 47.9 41.5 42.3 537 61 C G - 0 0 0 -15,-1.6 -41,-0.2 -2,-0.3 -40,-0.1 -0.254 16.0-166.0 -70.3 161.1 49.5 44.4 40.4 538 62 C H - 0 0 0 -43,-1.5 10,-0.2 1,-0.1 -42,-0.2 0.421 34.4-124.3-127.7 -1.7 53.0 44.2 39.1 539 63 C G - 0 0 9 -43,-1.3 2,-0.4 -44,-0.4 6,-0.2 -0.037 40.2 -55.0 80.1 171.1 54.0 47.8 38.3 540 64 C M S S+ 0 0 155 4,-0.1 4,-0.3 -44,-0.1 117,-0.1 -0.725 95.7 27.6 -92.2 134.2 55.2 49.3 35.0 541 65 C G S > S- 0 0 8 -2,-0.4 4,-2.2 2,-0.1 5,-0.3 0.077 85.1 -87.5 101.3 149.2 58.2 47.9 33.2 542 66 C I H > S+ 0 0 0 114,-0.2 4,-2.1 1,-0.2 5,-0.2 0.899 122.6 54.8 -58.1 -44.3 60.1 44.6 32.9 543 67 C P H > S+ 0 0 87 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.911 110.5 46.3 -59.4 -40.7 62.3 45.3 36.0 544 68 C S H >> S+ 0 0 33 -4,-0.3 4,-1.4 1,-0.2 3,-0.7 0.975 116.0 41.7 -66.5 -55.3 59.2 45.8 38.2 545 69 C C H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.764 106.3 64.6 -66.0 -24.2 57.2 42.8 37.1 546 70 C S H 3X S+ 0 0 21 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.882 102.6 50.2 -65.3 -35.5 60.2 40.6 37.1 547 71 C I H S- 0 0 18 80,-0.4 3,-1.2 81,-0.2 112,-0.1 -0.459 74.2-133.8 -75.0 142.5 48.2 48.7 13.0 572 96 C P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.843 102.5 58.4 -66.5 -31.6 45.5 50.7 11.2 573 97 C H T 3 S+ 0 0 110 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 0.127 90.0 90.9 -86.7 23.7 42.9 47.9 11.5 574 98 C V < - 0 0 4 -3,-1.2 2,-0.3 4,-0.0 -5,-0.1 -0.978 57.6-169.1-122.2 128.6 43.1 47.8 15.3 575 99 C K > - 0 0 139 -2,-0.4 3,-1.8 1,-0.1 103,-0.3 -0.778 32.4 -75.5-119.6 161.4 40.8 49.9 17.5 576 100 C L T 3 S+ 0 0 10 -2,-0.3 103,-0.2 1,-0.2 -1,-0.1 -0.146 114.1 21.4 -51.1 140.2 40.5 51.0 21.1 577 101 C R T 3 S+ 0 0 163 101,-3.2 -1,-0.2 1,-0.3 2,-0.1 0.410 85.8 140.6 79.6 0.1 39.1 48.3 23.5 578 102 C D < - 0 0 43 -3,-1.8 100,-2.4 100,-0.1 2,-0.4 -0.475 50.6-127.2 -70.1 146.5 40.1 45.4 21.2 579 103 C V E -C 677 0E 4 44,-0.4 46,-1.8 98,-0.2 2,-0.4 -0.835 25.9-170.2-101.0 133.9 41.4 42.4 23.1 580 104 C V E -Cd 676 625E 1 96,-2.7 96,-2.7 -2,-0.4 2,-0.5 -0.957 12.6-152.5-125.7 143.5 44.8 40.9 22.1 581 105 C I E -Cd 675 626E 1 44,-3.2 46,-2.5 -2,-0.4 2,-1.2 -0.954 14.6-142.2-116.2 116.2 46.5 37.7 23.2 582 106 C G E +Cd 674 627E 0 92,-2.5 92,-0.6 -2,-0.5 46,-0.2 -0.640 27.2 168.6 -83.9 97.2 50.3 37.6 23.1 583 107 C M E S+ 0 0 97 44,-1.7 22,-2.2 -2,-1.2 2,-0.3 0.767 81.1 13.1 -72.8 -23.9 51.4 34.2 22.0 584 108 C G E S-Ed 604 628E 6 43,-1.5 45,-1.7 20,-0.3 2,-0.3 -0.935 70.2-148.1-144.2 164.4 54.8 35.8 21.7 585 109 C A E - 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0 0 38 66,-2.1 4,-2.0 1,-0.1 3,-0.2 -0.640 38.2-139.7 -75.8 123.6 52.2 28.6 27.4 607 131 C F H > S+ 0 0 134 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.873 99.7 50.0 -51.3 -48.4 50.3 27.1 24.4 608 132 C D H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 109.9 51.8 -60.5 -40.0 47.5 25.5 26.5 609 133 C M H > S+ 0 0 5 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.8 49.5 -64.2 -38.0 46.9 28.9 28.2 610 134 C V H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 112.7 46.9 -65.3 -46.5 46.7 30.6 24.9 611 135 C R H X S+ 0 0 115 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.900 110.0 53.7 -61.9 -41.3 44.2 28.0 23.6 612 136 C N H X S+ 0 0 18 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.919 109.9 48.2 -59.7 -43.4 42.2 28.3 26.9 613 137 C A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.881 111.2 49.5 -64.4 -41.6 42.0 32.1 26.3 614 138 C V H X S+ 0 0 59 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.936 113.1 46.8 -63.6 -47.2 40.9 31.7 22.7 615 139 C D H X S+ 0 0 80 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 111.4 51.6 -60.9 -44.5 38.2 29.2 23.6 616 140 C A H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.877 108.8 51.3 -61.2 -39.3 36.9 31.3 26.5 617 141 C A H X>S+ 0 0 4 -4,-2.0 5,-2.7 2,-0.2 4,-0.8 0.915 109.7 48.9 -65.3 -42.9 36.6 34.3 24.2 618 142 C K H ><5S+ 0 0 172 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.896 110.2 51.6 -63.7 -40.4 34.6 32.4 21.7 619 143 C A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.3 44.9 -65.1 -33.1 32.3 31.1 24.4 620 144 C L H 3<5S- 0 0 61 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.534 112.3-120.6 -87.9 -7.7 31.8 34.7 25.7 621 145 C G T <<5 + 0 0 66 -4,-0.8 2,-0.4 -3,-0.5 -3,-0.2 0.815 65.9 139.7 72.4 30.5 31.3 36.0 22.1 622 146 C I < - 0 0 28 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.912 50.7-127.3-110.0 132.1 34.2 38.4 22.4 623 147 C D + 0 0 151 -2,-0.4 -44,-0.4 -3,-0.1 2,-0.3 -0.415 33.0 171.2 -73.7 152.7 36.6 39.0 19.5 624 148 C A - 0 0 38 -46,-0.1 2,-0.3 -2,-0.1 -44,-0.2 -0.884 23.7-141.8-164.7 129.7 40.4 38.6 20.2 625 149 C R E -d 580 0E 77 -46,-1.8 -44,-3.2 -2,-0.3 2,-0.5 -0.756 13.4-148.0 -96.0 143.1 43.5 38.5 18.0 626 150 C V E +d 581 0E 66 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.2 -0.933 47.6 85.6-111.4 127.8 46.4 36.2 18.7 627 151 C G E -d 582 0E 15 -46,-2.5 -44,-1.7 -2,-0.5 -43,-1.5 -0.914 70.0 -24.0-179.6-153.0 49.9 37.3 17.9 628 152 C N E -d 584 0E 68 22,-0.4 24,-2.8 -2,-0.3 25,-0.6 -0.672 41.6-165.4 -91.3 141.4 53.1 39.1 18.9 629 153 C L E -df 585 653E 0 -45,-1.7 -43,-3.3 -2,-0.3 2,-0.5 -0.700 17.0-132.7-112.0 167.9 53.3 42.0 21.4 630 154 C F E -df 586 654E 9 23,-2.0 25,-2.3 -2,-0.3 2,-0.8 -0.983 11.0-153.9-127.3 118.6 56.2 44.3 21.7 631 155 C S E -df 587 655E 0 -45,-3.3 -43,-1.2 -2,-0.5 -42,-0.4 -0.836 18.6-162.9 -95.3 108.9 57.5 45.0 25.3 632 156 C A - 0 0 7 23,-2.9 -90,-0.2 -2,-0.8 3,-0.1 -0.644 25.1-158.5 -95.0 147.8 59.2 48.4 25.4 633 157 C D S S+ 0 0 72 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.785 88.5 52.7 -88.1 -33.0 61.6 49.8 27.9 634 158 C L - 0 0 98 1,-0.2 3,-0.3 -93,-0.0 -1,-0.2 -0.890 57.2-174.1-112.4 107.5 60.9 53.4 26.9 635 159 C F S S+ 0 0 126 -2,-0.6 2,-1.0 1,-0.3 -1,-0.2 0.892 93.1 50.7 -59.7 -40.3 57.2 54.5 26.8 636 160 C Y S S- 0 0 196 -3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.772 94.6-155.7-100.9 86.1 58.5 57.7 25.3 637 161 C S - 0 0 47 -2,-1.0 3,-0.2 -3,-0.3 -2,-0.1 -0.404 18.7-143.4 -70.1 134.3 60.7 56.3 22.5 638 162 C P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.692 92.9 42.6 -67.2 -21.9 63.7 58.3 21.1 639 163 C D > - 0 0 85 1,-0.1 3,-1.1 2,-0.0 4,-0.2 -0.892 56.5-176.4-135.5 109.1 62.9 57.0 17.6 640 164 C G T >> S+ 0 0 40 -2,-0.4 3,-1.6 1,-0.2 4,-0.6 0.618 76.5 82.6 -74.0 -12.4 59.4 56.7 16.2 641 165 C E H >> S+ 0 0 114 1,-0.3 3,-1.2 2,-0.2 4,-1.1 0.824 79.7 67.7 -62.3 -28.1 60.8 55.0 13.1 642 166 C M H <> S+ 0 0 58 -3,-1.1 4,-2.4 1,-0.3 -1,-0.3 0.771 88.3 65.6 -62.2 -24.6 60.8 51.8 15.1 643 167 C F H <> S+ 0 0 40 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.852 97.9 54.0 -65.3 -31.9 57.0 52.0 15.1 644 168 C D H S+ 0 0 10 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.941 112.3 47.8 -59.3 -47.8 56.8 47.0 14.4 647 171 C E H ><5S+ 0 0 63 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.938 108.0 54.7 -59.6 -48.3 53.8 47.6 12.1 648 172 C K H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.9 47.2 -55.2 -36.9 55.6 46.0 9.2 649 173 C Y T 3<5S- 0 0 158 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.208 118.8-110.5 -92.7 17.5 56.1 42.8 11.3 650 174 C G T < 5 - 0 0 32 -3,-2.2 -22,-0.4 1,-0.2 2,-0.2 0.746 45.5-179.8 64.6 31.1 52.5 42.8 12.5 651 175 C I < - 0 0 5 -5,-2.3 -81,-0.4 1,-0.1 -80,-0.4 -0.471 14.7-157.4 -64.8 127.4 52.9 43.7 16.2 652 176 C L - 0 0 16 -24,-2.8 2,-0.3 1,-0.2 -82,-0.2 0.798 65.4 -0.7 -78.9 -32.8 49.5 43.7 17.7 653 177 C G E - f 0 629E 0 -25,-0.6 -23,-2.0 -84,-0.1 2,-0.6 -0.985 58.2-132.2-159.8 148.8 50.1 45.9 20.7 654 178 C V E +Bf 568 630E 22 -86,-2.9 -86,-2.2 -2,-0.3 2,-0.2 -0.914 43.2 142.0-105.9 117.9 52.9 47.9 22.4 655 179 C E E - f 0 631E 7 -25,-2.3 -23,-2.9 -2,-0.6 -88,-0.1 -0.617 48.5-118.4-135.0-162.7 53.2 47.4 26.2 656 180 C M S S+ 0 0 35 -25,-0.3 -114,-0.2 -2,-0.2 -25,-0.1 0.254 89.3 39.0-134.6 21.2 56.0 47.1 28.7 657 181 C E S >> S+ 0 0 9 -116,-0.1 4,-1.9 -27,-0.1 3,-1.4 0.657 75.9 91.9-138.7 -33.1 56.0 43.7 30.5 658 182 C A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.827 90.9 47.3 -37.8 -61.2 55.2 40.6 28.4 659 183 C A H 3> S+ 0 0 0 -73,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.787 113.5 52.0 -57.5 -28.3 58.7 39.6 27.3 660 184 C G H <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.890 108.9 47.2 -75.3 -41.7 59.9 40.0 30.9 661 185 C I H X S+ 0 0 3 -4,-1.9 4,-2.6 -3,-0.2 -2,-0.2 0.901 112.9 50.1 -66.4 -40.8 57.2 37.8 32.4 662 186 C Y H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.884 109.5 51.0 -65.3 -38.5 57.8 35.1 29.8 663 187 C G H X S+ 0 0 2 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.899 112.5 46.7 -65.3 -39.7 61.5 35.2 30.5 664 188 C V H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.900 108.5 54.6 -67.9 -42.7 60.9 34.8 34.2 665 189 C A H X>S+ 0 0 9 -4,-2.6 5,-2.7 1,-0.2 4,-0.7 0.906 113.0 43.4 -58.2 -42.1 58.4 32.0 33.7 666 190 C A H <5S+ 0 0 65 -4,-1.9 3,-0.2 3,-0.2 -1,-0.2 0.897 114.6 48.9 -71.2 -41.8 61.0 30.0 31.8 667 191 C E H <5S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 122.1 32.1 -65.6 -44.5 63.9 30.8 34.1 668 192 C F H <5S- 0 0 69 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.360 114.2-107.5 -97.8 5.1 62.0 29.8 37.3 669 193 C G T <5S+ 0 0 68 -4,-0.7 2,-0.2 -3,-0.2 -3,-0.2 0.933 72.6 114.3 74.9 51.5 59.8 27.1 35.9 670 194 C A < - 0 0 20 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.745 59.0-106.4-135.8-176.9 56.2 28.3 35.7 671 195 C K E -a 560 0E 89 -112,-2.2 -110,-2.2 -2,-0.2 2,-0.3 -0.932 34.4-179.5-120.3 143.5 53.6 29.1 33.0 672 196 C A E -a 561 0E 4 -2,-0.4 -66,-2.1 -112,-0.2 2,-0.3 -0.960 14.9-177.5-144.0 159.6 52.4 32.5 31.8 673 197 C L E -a 562 0E 1 -112,-1.9 -110,-2.8 -2,-0.3 2,-0.5 -0.981 14.3-147.9-153.7 142.1 50.1 34.4 29.4 674 198 C T E -aC 563 582E 0 -92,-0.6 -92,-2.5 -2,-0.3 2,-0.4 -0.964 13.3-179.4-118.3 126.5 49.5 38.1 28.6 675 199 C I E -aC 564 581E 0 -112,-2.9 -110,-2.0 -2,-0.5 2,-0.3 -0.977 12.9-170.7-121.4 134.4 46.1 39.4 27.5 676 200 C C E -aC 565 580E 0 -96,-2.7 -96,-2.7 -2,-0.4 2,-0.5 -0.933 21.4-144.4-131.4 154.5 45.8 43.2 26.7 677 201 C T E -aC 566 579E 5 -112,-1.9 -110,-1.5 -2,-0.3 2,-0.5 -0.967 34.2-116.3-114.1 126.6 43.1 45.7 26.0 678 202 C V E +a 567 0E 1 -100,-2.4 -101,-3.2 -2,-0.5 -110,-0.2 -0.514 39.1 172.1 -64.6 114.4 44.0 48.4 23.5 679 203 C S E + 0 0 0 -112,-2.4 9,-1.3 -2,-0.5 2,-0.3 0.509 62.0 6.0-103.1 -9.3 43.9 51.6 25.5 680 204 C D E -aG 568 687E 17 -113,-1.1 -111,-2.3 7,-0.2 2,-0.5 -0.982 65.2-122.5-165.3 161.7 45.4 54.0 22.9 681 205 C H E > -a 569 0E 12 5,-2.0 4,-2.1 -2,-0.3 5,-0.2 -0.970 11.5-153.7-118.8 121.7 46.5 54.2 19.3 682 206 C I T 4 S+ 0 0 32 -113,-2.3 -112,-0.2 -2,-0.5 -1,-0.1 0.809 94.0 39.9 -62.1 -32.5 50.1 55.3 18.6 683 207 C R T 4 S+ 0 0 87 -114,-0.5 -1,-0.2 1,-0.1 -113,-0.1 0.929 125.5 31.4 -84.8 -48.5 49.3 56.7 15.2 684 208 C T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.696 93.6-138.6 -82.6 -19.3 45.9 58.4 15.7 685 209 C H < + 0 0 133 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.603 43.6 158.9 71.1 12.2 46.6 59.3 19.3 686 210 C E - 0 0 114 -5,-0.2 -5,-2.0 1,-0.0 2,-0.3 -0.502 23.2-164.8 -66.6 136.8 43.1 58.4 20.3 687 211 C Q B -G 680 0E 112 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.874 25.1-142.1-129.0 159.6 43.1 57.7 24.0 688 212 C T - 0 0 13 -9,-1.3 2,-0.1 -2,-0.3 -9,-0.1 -0.827 40.2-105.0-110.6 151.7 41.2 56.2 26.9 689 213 C T > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.402 21.7-116.4 -78.3 158.4 41.2 57.9 30.3 690 214 C A H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.907 119.3 54.6 -58.1 -40.3 43.2 56.6 33.2 691 215 C A H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 107.4 50.5 -59.6 -41.7 39.9 56.1 35.0 692 216 C E H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.914 109.3 49.4 -62.9 -44.2 38.7 54.0 32.1 693 217 C R H < S+ 0 0 53 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.832 112.4 50.9 -64.6 -31.5 41.8 51.9 32.2 694 218 C Q H < S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.831 129.5 8.6 -76.3 -35.7 41.4 51.4 35.9 695 219 C T H < S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.229 118.1 58.9-136.6 19.5 37.7 50.3 36.1 696 220 C T < + 0 0 65 -4,-1.9 2,-1.6 -5,-0.1 3,-0.3 0.464 66.9 98.7-129.8 0.0 36.3 49.6 32.6 697 221 C F > + 0 0 12 -5,-0.3 4,-0.6 -4,-0.3 -1,-0.1 -0.505 41.8 142.7 -88.6 69.0 38.3 46.9 30.9 698 222 C N H > + 0 0 60 -2,-1.6 4,-2.1 1,-0.2 3,-0.2 0.822 52.5 68.1 -79.8 -35.5 36.0 44.0 31.8 699 223 C D H > S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.918 101.1 47.8 -52.6 -49.3 36.1 41.8 28.7 700 224 C M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 110.3 53.3 -63.0 -33.1 39.8 40.7 29.2 701 225 C I H X S+ 0 0 1 -4,-0.6 4,-2.6 -3,-0.2 -1,-0.2 0.888 108.1 49.8 -68.4 -40.2 39.1 39.9 32.8 702 226 C K H X S+ 0 0 66 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.906 112.8 47.0 -64.1 -43.1 36.1 37.7 31.9 703 227 C I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.916 112.7 50.1 -64.8 -45.2 38.3 35.8 29.3 704 228 C A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.967 114.4 42.5 -57.8 -56.6 41.1 35.4 31.8 705 229 C L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.891 116.7 46.6 -59.8 -44.0 39.0 34.0 34.6 706 230 C E H X S+ 0 0 36 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.818 106.8 59.3 -70.0 -29.3 37.0 31.7 32.4 707 231 C S H X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.817 101.6 55.3 -68.6 -28.9 40.1 30.5 30.7 708 232 C V H X S+ 0 0 3 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.927 105.5 50.5 -68.2 -45.0 41.4 29.3 34.1 709 233 C L H X S+ 0 0 41 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.897 109.0 52.8 -58.7 -41.7 38.3 27.1 34.7 710 234 C L H < S+ 0 0 74 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.893 108.0 51.6 -60.1 -41.4 38.8 25.6 31.2 711 235 C G H < S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 102.2 58.9 -65.6 -35.5 42.4 24.8 32.2 712 236 C D H < 0 0 80 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.818 360.0 360.0 -63.9 -30.0 41.3 23.1 35.3 713 237 C K < 0 0 122 -4,-1.2 -3,-0.1 -3,-0.4 -2,-0.0 0.408 360.0 360.0 -85.9 360.0 39.2 20.7 33.3