==== 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 01-DEC-03 1VHW . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR STRUCTURAL GENOMIX . 1418 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1089 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 201 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 11 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 . 115 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 426 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.5 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 6 0 6 0 0 1 11 0 6 0 6 0 0 0 0 1 0 1 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 0 0 3 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 20 0 6 6 0 6 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 0 6 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 2 A A 0 0 112 0, 0.0 5,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 6.0 -30.4 -27.9 91.1 2 3 A T B > -A 5 0A 25 3,-2.0 3,-0.5 5,-0.2 5,-0.1 -0.723 360.0-106.3-106.8 163.0 -28.3 -25.4 89.1 3 4 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.772 116.4 26.2 -62.1 -26.4 -26.3 -26.4 86.0 4 5 A H T 3 S+ 0 0 10 1,-0.2 2,-0.4 67,-0.1 41,-0.1 0.387 118.8 56.2-116.6 0.0 -22.9 -26.2 87.8 5 6 A I B < -A 2 0A 0 -3,-0.5 -3,-2.0 2,-0.1 2,-1.1 -0.960 59.9-159.5-137.4 117.3 -23.8 -26.9 91.5 6 7 A N + 0 0 74 -2,-0.4 2,-0.2 -5,-0.2 35,-0.0 -0.534 58.0 104.6 -96.8 67.3 -25.7 -30.0 92.6 7 8 A A - 0 0 5 -2,-1.1 2,-0.3 33,-0.1 -5,-0.2 -0.746 63.6-117.5-133.6 178.3 -27.0 -28.6 95.9 8 9 A Q > - 0 0 139 -2,-0.2 3,-2.7 31,-0.1 4,-0.3 -0.877 41.6 -84.9-121.6 152.9 -30.2 -27.3 97.4 9 10 A M T 3 S+ 0 0 131 -2,-0.3 71,-0.1 1,-0.3 72,-0.1 -0.360 119.9 32.6 -55.5 132.7 -31.2 -23.9 98.7 10 11 A G T 3 S+ 0 0 35 70,-0.4 -1,-0.3 2,-0.2 70,-0.1 0.083 89.3 100.3 102.6 -20.4 -30.0 -23.9 102.3 11 12 A D S < S+ 0 0 48 -3,-2.7 2,-0.3 28,-0.1 -2,-0.1 0.786 77.6 59.8 -67.6 -30.4 -27.0 -26.1 101.7 12 13 A F S S- 0 0 7 -4,-0.3 -2,-0.2 68,-0.2 37,-0.1 -0.776 84.2-125.7-100.4 146.7 -24.7 -23.1 101.7 13 14 A A - 0 0 4 -2,-0.3 44,-0.1 2,-0.3 -3,-0.1 -0.260 35.8-104.0 -70.3 173.4 -24.1 -20.6 104.5 14 15 A D S S+ 0 0 71 42,-0.2 69,-2.3 68,-0.2 70,-2.0 0.535 110.1 57.8 -81.4 -4.1 -24.6 -16.9 103.6 15 16 A V E -b 84 0B 3 41,-0.2 43,-2.1 68,-0.2 2,-0.4 -0.995 69.9-172.6-126.5 126.7 -20.8 -16.5 103.5 16 17 A V E -bc 85 58B 0 68,-2.2 70,-2.6 -2,-0.4 2,-0.3 -0.990 13.4-152.4-126.4 125.0 -18.7 -18.6 101.2 17 18 A L E -bc 86 59B 1 41,-2.9 43,-2.5 -2,-0.4 70,-0.2 -0.709 20.9-166.5 -87.3 137.9 -14.9 -18.8 101.2 18 19 A M E +b 87 0B 0 68,-2.8 70,-1.5 -2,-0.3 43,-0.2 -0.855 18.4 177.5-138.6 111.0 -13.5 -19.7 97.8 19 20 A P - 0 0 1 0, 0.0 43,-1.6 0, 0.0 44,-0.3 -0.492 40.4-118.5 -89.6 167.0 -10.0 -20.8 96.7 20 21 A G S S+ 0 0 9 41,-0.2 43,-1.8 68,-0.2 69,-0.1 0.887 96.2 72.6 -73.3 -36.9 -9.6 -21.6 92.9 21 22 A D >> - 0 0 24 1,-0.2 4,-1.6 40,-0.1 3,-1.2 -0.698 70.0-151.8 -84.5 119.7 -8.6 -25.3 93.7 22 23 A P H 3> S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.788 99.4 59.2 -58.2 -26.6 -11.4 -27.5 94.8 23 24 A L H 3> S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.786 102.6 51.9 -74.6 -25.2 -8.8 -29.6 96.7 24 25 A R H <> S+ 0 0 86 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.838 106.8 53.8 -74.4 -32.4 -7.9 -26.4 98.7 25 26 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.923 109.0 48.8 -65.5 -40.7 -11.6 -26.1 99.5 26 27 A K H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.931 110.7 50.7 -61.7 -45.1 -11.4 -29.7 100.8 27 28 A Y H X S+ 0 0 83 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.927 111.5 47.3 -59.7 -44.7 -8.3 -28.9 102.9 28 29 A I H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.9 0.934 112.6 49.6 -63.9 -44.3 -10.0 -25.8 104.4 29 30 A A H X5S+ 0 0 2 -4,-2.5 4,-0.6 1,-0.2 7,-0.4 0.899 115.6 42.5 -61.3 -42.2 -13.2 -27.7 105.2 30 31 A E H <5S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 126.1 29.2 -75.9 -31.8 -11.3 -30.6 106.9 31 32 A N H <5S+ 0 0 100 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.631 128.5 29.7-106.5 -20.8 -8.8 -28.5 108.8 32 33 A F H <5S+ 0 0 41 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.557 108.1 64.7-114.8 -18.2 -10.3 -25.2 109.7 33 34 A L S < + 0 0 71 -2,-0.3 3,-1.9 5,-0.2 5,-0.2 0.277 26.2 145.3-152.3 14.5 -19.2 -32.0 93.4 42 43 A V G > S+ 0 0 38 3,-0.3 3,-2.5 1,-0.3 -38,-0.0 -0.346 86.8 3.0 -61.0 135.7 -20.3 -31.3 89.8 43 44 A R G 3 S- 0 0 55 1,-0.3 -1,-0.3 692,-0.1 3,-0.1 0.751 128.1 -74.0 57.6 24.2 -17.2 -31.1 87.5 44 45 A N G < S+ 0 0 14 -3,-1.9 2,-1.5 1,-0.2 -1,-0.3 0.683 94.0 144.4 63.1 20.5 -15.2 -32.0 90.7 45 46 A M < - 0 0 18 -3,-2.5 -3,-0.3 -41,-0.1 -1,-0.2 -0.666 40.4-154.9 -92.9 84.3 -15.8 -28.4 92.0 46 47 A F - 0 0 32 -2,-1.5 15,-2.0 -5,-0.2 2,-0.3 -0.306 17.5-179.4 -65.5 137.5 -16.1 -29.4 95.6 47 48 A G E -DE 40 60B 0 -7,-1.5 -8,-2.9 13,-0.2 -7,-1.3 -0.972 2.6-174.7-139.1 143.8 -18.0 -27.3 98.1 48 49 A Y E -DE 38 59B 13 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.961 14.8-151.6-139.3 158.2 -18.6 -27.8 101.8 49 50 A T E +DE 37 58B 12 -12,-2.3 -12,-2.3 -2,-0.3 9,-0.2 -0.995 34.4 129.3-135.1 127.5 -20.5 -26.3 104.7 50 51 A G E - E 0 57B 7 7,-2.5 7,-2.6 -2,-0.4 2,-0.3 -0.654 49.5 -84.3-150.0-158.3 -19.4 -26.5 108.4 51 52 A T E -DE 34 56B 42 -17,-2.0 -17,-3.1 5,-0.3 2,-0.5 -0.933 16.3-159.1-127.6 152.2 -18.9 -24.1 111.3 52 53 A Y E > S- E 0 55B 16 3,-2.6 3,-2.3 -2,-0.3 -19,-0.1 -0.977 89.0 -21.4-126.0 112.2 -16.2 -21.9 112.6 53 54 A K T 3 S- 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.873 130.9 -49.9 53.2 39.1 -16.5 -21.0 116.3 54 55 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 -20,-0.0 -1,-0.3 0.275 113.7 119.4 85.8 -12.3 -20.2 -21.9 116.0 55 56 A R E < - E 0 52B 45 -3,-2.3 -3,-2.6 1,-0.0 2,-0.2 -0.776 67.9-119.8 -91.2 129.1 -20.8 -19.8 112.9 56 57 A R E + E 0 51B 111 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.466 42.6 167.1 -67.8 124.7 -22.0 -21.5 109.7 57 58 A I E - E 0 50B 1 -7,-2.6 -7,-2.5 -2,-0.2 2,-0.3 -0.995 21.0-149.9-142.0 142.7 -19.6 -21.0 106.9 58 59 A S E -cE 16 49B 0 -43,-2.1 -41,-2.9 -2,-0.3 2,-0.4 -0.799 4.9-163.0-110.8 159.8 -19.2 -22.6 103.5 59 60 A V E +cE 17 48B 1 -11,-2.5 -11,-2.7 -2,-0.3 2,-0.3 -0.994 17.6 160.4-142.4 131.5 -16.1 -23.2 101.4 60 61 A M E - E 0 47B 0 -43,-2.5 -13,-0.2 -2,-0.4 -14,-0.1 -0.989 36.9-110.2-153.6 144.7 -16.0 -24.0 97.6 61 62 A G - 0 0 0 -15,-2.0 -41,-0.2 -2,-0.3 -40,-0.1 -0.340 17.0-166.4 -73.4 156.5 -13.6 -23.9 94.7 62 63 A H - 0 0 0 -43,-1.6 10,-0.3 1,-0.3 -42,-0.2 0.399 32.6-131.1-119.7 -2.4 -14.2 -21.4 91.9 63 64 A G - 0 0 8 -43,-1.8 2,-0.5 -44,-0.3 -1,-0.3 -0.241 41.8 -51.5 79.9-173.2 -11.9 -22.8 89.2 64 65 A M S S+ 0 0 9 714,-0.1 718,-0.4 715,-0.1 4,-0.4 -0.891 93.9 17.0-111.4 132.6 -9.4 -20.6 87.3 65 66 A G S > S- 0 0 0 -2,-0.5 4,-2.5 716,-0.2 5,-0.3 0.055 85.9 -77.0 99.5 157.9 -10.2 -17.4 85.4 66 67 A I H > S+ 0 0 0 90,-0.2 4,-2.4 1,-0.2 5,-0.2 0.911 124.2 50.6 -58.5 -50.1 -12.9 -14.8 85.3 67 68 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 806,-0.3 0.898 113.1 47.1 -58.7 -39.7 -15.4 -16.8 83.2 68 69 A S H >> S+ 0 0 4 -4,-0.4 4,-1.6 710,-0.3 3,-0.5 0.976 115.1 42.5 -66.9 -54.5 -15.1 -19.8 85.5 69 70 A C H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.840 108.4 61.6 -64.8 -28.7 -15.5 -18.0 88.8 70 71 A S H 3X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.884 103.0 50.5 -61.8 -43.1 -18.3 -15.8 87.4 71 72 A I H S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-1.0 0.925 110.5 53.1 -64.0 -40.9 -25.1 -19.2 91.0 76 77 A L H X5S+ 0 0 0 -4,-2.5 6,-2.2 -5,-0.2 4,-1.0 0.939 116.4 39.3 -59.8 -46.5 -24.2 -18.9 94.7 77 78 A I H X5S+ 0 0 21 -4,-2.4 4,-0.7 4,-0.2 -2,-0.2 0.971 125.5 33.1 -68.3 -53.5 -25.7 -15.4 95.0 78 79 A K H <5S+ 0 0 92 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.826 131.7 27.3 -77.9 -31.2 -28.8 -15.8 92.8 79 80 A D H <5S+ 0 0 54 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.649 128.2 35.8-104.3 -20.8 -29.7 -19.5 93.5 80 81 A Y H < S- 0 0 43 80,-0.3 3,-1.7 81,-0.2 -1,-0.1 -0.857 73.3-134.2-107.5 146.2 6.3 -4.6 93.1 96 97 A E T 3 S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.740 103.4 68.3 -70.1 -17.8 9.3 -4.5 95.3 97 98 A G T 3 S+ 0 0 46 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.611 93.9 69.0 -74.7 -12.3 7.2 -3.2 98.2 98 99 A I S < S- 0 0 12 -3,-1.7 2,-0.3 4,-0.0 -5,-0.0 -0.919 71.6-160.3-110.7 133.8 5.5 -6.6 98.4 99 100 A K > - 0 0 50 -2,-0.5 3,-2.1 1,-0.1 103,-0.2 -0.768 30.3 -90.4-113.9 158.6 7.3 -9.7 99.5 100 101 A V T 3 S+ 0 0 26 -2,-0.3 103,-0.2 1,-0.3 3,-0.1 -0.340 115.8 28.5 -61.3 140.9 6.7 -13.4 99.1 101 102 A R T 3 S+ 0 0 88 101,-2.8 -1,-0.3 1,-0.3 102,-0.1 0.381 90.2 133.6 86.0 -1.8 4.6 -14.7 102.0 102 103 A D < - 0 0 39 -3,-2.1 100,-2.6 100,-0.1 2,-0.5 -0.479 56.1-129.7 -73.8 154.9 2.9 -11.3 102.4 103 104 A V E -H 201 0B 5 44,-0.4 46,-2.0 98,-0.2 2,-0.3 -0.930 29.6-171.1-106.6 124.3 -0.9 -11.3 102.8 104 105 A V E -Hi 200 149B 0 96,-3.0 96,-2.9 -2,-0.5 2,-0.4 -0.908 13.4-153.6-119.5 150.6 -2.6 -8.9 100.4 105 106 A I E -Hi 199 150B 0 44,-2.7 46,-2.5 -2,-0.3 2,-1.3 -0.986 14.4-138.5-124.6 128.2 -6.2 -7.7 100.1 106 107 A G E + i 0 151B 0 92,-2.6 92,-0.5 -2,-0.4 46,-0.2 -0.661 26.6 169.9 -86.5 91.3 -7.6 -6.5 96.8 107 108 A M E S+ 0 0 2 44,-1.8 22,-2.4 -2,-1.3 2,-0.3 0.857 84.0 13.8 -65.9 -30.7 -9.7 -3.4 97.8 108 109 A G E S-Ji 128 152B 0 43,-1.6 45,-2.4 20,-0.2 2,-0.4 -0.894 74.4-148.4-130.4 164.6 -9.8 -3.0 94.0 109 110 A A E - i 0 153B 2 18,-2.1 18,-0.5 -2,-0.3 45,-0.2 -0.927 7.1-159.9-141.2 114.9 -9.0 -5.4 91.1 110 111 A C E + i 0 154B 0 43,-3.0 45,-3.1 -2,-0.4 73,-0.3 -0.399 21.0 178.6 -77.1 167.7 -7.6 -4.2 87.8 111 112 A T E -Ki1075 155B 1 964,-2.1 964,-2.9 43,-0.2 45,-0.2 -0.977 43.9-141.6-167.4 160.0 -7.9 -6.5 84.7 112 113 A D S S+ 0 0 9 43,-0.9 44,-0.1 -2,-0.3 2,-0.1 0.223 72.8 111.3-105.0 5.0 -7.3 -7.1 81.0 113 114 A S - 0 0 0 42,-0.4 4,-0.2 1,-0.1 3,-0.2 -0.408 65.9-141.2 -72.9 158.1 -10.7 -8.9 80.7 114 115 A K S > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.458 75.0 101.4 -96.1 2.0 -13.5 -7.4 78.7 115 116 A V H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.845 83.0 44.0 -60.3 -41.2 -16.3 -8.5 81.1 116 117 A N H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 111.8 53.9 -74.2 -27.7 -16.8 -5.3 83.0 117 118 A R H 4>S+ 0 0 15 -3,-0.3 5,-2.4 -4,-0.2 6,-0.2 0.880 106.1 53.8 -67.7 -36.9 -16.7 -3.3 79.7 118 119 A I H <5S+ 0 0 35 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.912 116.4 39.3 -62.1 -39.9 -19.5 -5.7 78.5 119 120 A R H <5S+ 0 0 16 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.801 117.6 47.5 -76.0 -34.6 -21.5 -4.7 81.6 120 121 A F T ><5S- 0 0 0 -4,-2.4 3,-1.9 3,-0.2 -1,-0.2 -0.164 113.9 -95.9-112.2 43.7 -20.6 -1.0 81.8 121 122 A K T 3 5S- 0 0 86 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.819 78.9 -64.2 50.1 37.4 -21.1 0.4 78.3 122 123 A D T 3 - 0 0 37 66,-2.3 4,-2.2 1,-0.1 3,-0.3 -0.772 35.8-137.6 -84.5 128.5 -17.1 -4.4 99.8 131 132 A Y H > S+ 0 0 7 -2,-0.5 4,-2.8 970,-0.3 5,-0.2 0.899 100.1 51.7 -54.7 -50.3 -15.6 -1.9 102.3 132 133 A K H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 110.2 50.6 -60.8 -33.1 -16.9 -3.5 105.5 133 134 A M H > S+ 0 0 10 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 110.7 48.8 -67.7 -42.7 -15.5 -6.9 104.4 134 135 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.944 112.9 48.0 -59.9 -47.7 -12.1 -5.3 103.6 135 136 A K H X S+ 0 0 28 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.932 110.5 51.0 -59.3 -44.0 -12.1 -3.6 107.1 136 137 A A H X S+ 0 0 4 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.882 111.7 47.5 -62.0 -40.7 -13.1 -6.8 108.8 137 138 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 112.5 48.8 -69.2 -39.9 -10.2 -8.7 107.2 138 139 A E H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 10,-0.2 0.931 113.8 46.7 -66.2 -40.8 -7.7 -6.0 108.0 139 140 A E H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.908 110.8 52.5 -67.1 -37.6 -8.8 -5.9 111.6 140 141 A A H X S+ 0 0 1 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.914 110.7 47.7 -63.5 -40.0 -8.7 -9.7 111.8 141 142 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 3,-1.1 0.950 109.2 53.0 -66.6 -42.3 -5.2 -9.7 110.5 142 143 A K H ><5S+ 0 0 145 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.896 105.7 54.6 -60.4 -38.6 -4.1 -7.0 113.0 143 144 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.753 109.6 48.0 -66.5 -23.4 -5.5 -9.1 115.8 144 145 A R T <<5S- 0 0 101 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.391 120.5-109.4 -96.1 0.6 -3.3 -11.9 114.7 145 146 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.5 -4,-0.4 -3,-0.2 0.759 76.0 131.9 77.7 26.9 -0.2 -9.7 114.4 146 147 A I < - 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f 0 391E 2 18,-1.7 18,-0.5 -2,-0.3 45,-0.2 -0.908 6.9-159.1-144.6 112.2 -9.3 -14.0 57.2 348 111 B C E + f 0 392E 0 43,-3.0 45,-3.0 -2,-0.3 73,-0.3 -0.354 20.5 179.8 -77.6 166.3 -7.9 -11.7 60.0 349 112 B T E -Hf 838 393E 1 489,-2.1 489,-2.9 43,-0.2 45,-0.2 -0.979 43.3-141.7-164.5 160.3 -8.1 -7.9 59.4 350 113 B D S S+ 0 0 9 43,-1.0 953,-0.1 -2,-0.3 44,-0.1 0.231 73.0 111.2-104.8 6.7 -7.3 -4.5 60.8 351 114 B S - 0 0 0 42,-0.4 4,-0.2 1,-0.1 3,-0.2 -0.419 66.0-141.6 -74.8 157.9 -10.6 -3.1 59.4 352 115 B K S > S+ 0 0 12 1,-0.1 4,-2.2 949,-0.1 5,-0.2 0.429 75.3 101.8 -96.5 3.1 -13.4 -2.1 61.7 353 116 B V H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.836 82.5 43.7 -60.7 -41.3 -16.2 -3.5 59.4 354 117 B N H > S+ 0 0 1 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.849 111.6 54.2 -74.5 -28.4 -16.9 -6.7 61.3 355 118 B R H 4>S+ 0 0 17 2,-0.2 5,-2.6 -4,-0.2 6,-0.2 0.890 106.4 53.6 -66.0 -37.9 -16.8 -4.9 64.6 356 119 B I H <5S+ 0 0 33 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.903 116.3 39.3 -60.3 -40.2 -19.4 -2.5 63.2 357 120 B R H <5S+ 0 0 17 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.844 117.2 48.1 -76.0 -35.0 -21.5 -5.6 62.3 358 121 B F T ><5S- 0 0 0 -4,-2.7 3,-2.0 3,-0.2 -1,-0.2 -0.195 114.0 -96.4-110.8 42.6 -20.9 -7.7 65.4 359 122 B K T 3 5S- 0 0 87 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.857 78.8 -63.8 51.6 37.4 -21.4 -5.4 68.4 360 123 B D T 3 - 0 0 36 66,-2.5 4,-2.1 1,-0.1 3,-0.2 -0.731 36.7-138.1 -78.5 129.7 -17.9 -21.6 53.7 369 132 B Y H > S+ 0 0 13 -2,-0.4 4,-2.9 495,-0.3 5,-0.2 0.909 99.8 52.4 -58.6 -47.7 -16.5 -25.0 54.7 370 133 B K H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 110.3 49.5 -59.4 -34.5 -17.8 -27.0 51.7 371 134 B M H > S+ 0 0 12 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.5 50.2 -70.6 -39.6 -16.3 -24.4 49.3 372 135 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.958 112.7 47.1 -59.7 -50.2 -12.9 -24.7 51.1 373 136 B K H X S+ 0 0 31 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.914 110.8 51.6 -58.6 -45.5 -13.1 -28.5 50.9 374 137 B A H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 112.7 45.3 -58.8 -44.5 -14.1 -28.5 47.2 375 138 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 113.3 49.7 -66.9 -40.3 -11.2 -26.2 46.3 376 139 B E H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 10,-0.2 0.919 113.5 46.1 -65.1 -41.4 -8.7 -28.2 48.4 377 140 B E H X S+ 0 0 70 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.913 110.6 53.1 -68.7 -38.7 -9.8 -31.5 46.7 378 141 B A H X S+ 0 0 5 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.901 112.3 45.6 -60.6 -42.6 -9.7 -29.9 43.3 379 142 B A H ><>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-1.5 0.938 109.5 54.1 -65.9 -45.3 -6.1 -28.8 43.9 380 143 B K H ><5S+ 0 0 145 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.880 103.4 57.1 -58.7 -36.2 -5.1 -32.2 45.4 381 144 B A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 108.2 48.1 -68.2 -18.7 -6.4 -33.9 42.2 382 145 B R T <<5S- 0 0 105 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.233 120.9-106.9-103.2 6.1 -4.0 -31.7 40.2 383 146 B G T < 5S+ 0 0 74 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.692 76.9 132.4 75.7 22.1 -1.0 -32.4 42.4 384 147 B I < - 0 0 43 -5,-2.3 2,-1.0 -6,-0.1 -1,-0.2 -0.910 49.4-145.9-111.1 124.9 -1.0 -29.0 44.1 385 148 B D - 0 0 70 -2,-0.5 -44,-0.3 -3,-0.1 2,-0.1 -0.791 19.1-155.0 -91.5 97.3 -0.7 -28.8 47.9 386 149 B V - 0 0 15 -2,-1.0 2,-0.7 -10,-0.2 -44,-0.2 -0.398 11.9-132.1 -73.2 143.1 -2.7 -25.8 49.0 387 150 B K E -f 342 0E 73 -46,-2.2 -44,-2.7 -2,-0.1 2,-0.6 -0.885 24.4-163.2 -96.8 109.4 -1.9 -24.0 52.3 388 151 B V E +f 343 0E 35 -2,-0.7 457,-0.4 -46,-0.2 2,-0.2 -0.854 40.4 88.7 -99.4 119.5 -5.2 -23.6 54.1 389 152 B G E S-f 344 0E 11 -46,-2.7 -44,-1.9 -2,-0.6 -43,-1.6 -0.779 74.5 -25.4-169.8-144.2 -5.2 -21.1 56.9 390 153 B N E -f 346 0E 7 22,-0.4 24,-2.8 -2,-0.2 25,-0.8 -0.834 42.5-159.7 -99.2 128.0 -5.8 -17.5 57.8 391 154 B L E -fi 347 415E 0 -45,-2.4 -43,-3.0 -2,-0.5 2,-0.5 -0.492 17.3-134.4 -87.9 167.4 -5.3 -14.6 55.3 392 155 B F E -fi 348 416E 1 23,-2.1 25,-2.4 -45,-0.2 2,-0.9 -0.990 12.0-154.0-122.4 115.2 -4.8 -11.1 56.6 393 156 B S E -fi 349 417E 0 -45,-3.0 -43,-1.0 -2,-0.5 -42,-0.4 -0.859 20.4-152.3 -92.8 104.2 -7.0 -8.5 54.8 394 157 B A - 0 0 11 23,-3.0 -90,-0.2 -2,-0.9 3,-0.2 -0.531 21.7-159.2 -81.7 147.5 -5.1 -5.2 55.2 395 158 B E S S+ 0 0 0 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.809 86.2 44.7 -87.5 -38.2 -6.6 -1.8 55.2 396 159 B L - 0 0 9 1,-0.2 3,-0.4 863,-0.1 -1,-0.2 -0.910 57.4-172.0-118.1 103.4 -3.3 0.0 54.3 397 160 B F S S+ 0 0 92 -2,-0.6 2,-1.3 1,-0.3 -1,-0.2 0.897 95.8 48.6 -53.8 -45.5 -1.2 -1.4 51.5 398 161 B Y S S- 0 0 44 -3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.615 98.5-159.7 -93.8 71.4 1.5 1.1 52.5 399 162 B T - 0 0 36 -2,-1.3 -2,-0.1 -3,-0.4 -5,-0.0 -0.265 25.9-153.1 -61.8 134.4 1.2 0.3 56.1 400 163 B P S S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.602 94.3 55.7 -78.0 -5.2 2.4 2.7 58.7 401 164 B D > + 0 0 36 1,-0.1 3,-1.9 2,-0.0 4,-0.3 -0.563 54.9 161.6-128.3 72.4 3.0 -0.4 60.9 402 165 B P T > + 0 0 79 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.764 69.6 77.0 -63.5 -19.8 5.3 -2.9 59.2 403 166 B S T >> S+ 0 0 49 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.790 80.2 72.2 -61.0 -22.6 6.0 -4.5 62.6 404 167 B M H <> S+ 0 0 5 -3,-1.9 4,-2.6 1,-0.3 -1,-0.3 0.823 83.6 67.5 -64.0 -25.7 2.5 -6.1 62.2 405 168 B F H <> S+ 0 0 47 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.3 0.869 97.3 52.9 -63.0 -32.2 3.9 -8.4 59.5 406 169 B D H <> S+ 0 0 102 -3,-1.1 4,-2.5 -4,-0.5 -1,-0.2 0.854 108.5 49.9 -69.7 -33.5 6.0 -10.1 62.2 407 170 B V H X S+ 0 0 29 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.915 109.7 50.7 -70.3 -40.9 2.9 -10.7 64.3 408 171 B M H <>S+ 0 0 4 -4,-2.6 5,-2.5 2,-0.2 4,-0.3 0.933 110.7 50.3 -59.6 -43.5 1.1 -12.1 61.2 409 172 B D H ><5S+ 0 0 23 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.965 109.9 49.2 -60.0 -50.3 4.1 -14.4 60.7 410 173 B K H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.2 50.5 -58.7 -37.2 4.1 -15.6 64.3 411 174 B Y T 3<5S- 0 0 11 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.363 118.2-109.3 -85.9 7.4 0.3 -16.3 64.2 412 175 B G T < 5 + 0 0 35 -3,-1.9 -22,-0.4 -4,-0.3 -3,-0.2 0.636 48.1 176.7 78.6 22.0 0.6 -18.4 61.0 413 176 B I < - 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