==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-FEB-03 1NUP . COMPND 2 MOLECULE: FKSG76; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHANG,O.V.KURNASOV,S.KARTHIKEYAN,N.V.GRISHIN,A.L.OSTERMAN, . 425 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 3 1 2 2 0 5 1 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 0 0 0 0 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A S 0 0 176 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.8 -6.8 36.8 14.0 2 4 A R - 0 0 103 35,-0.1 35,-0.3 1,-0.1 34,-0.1 -0.534 360.0-120.2 -87.4 148.7 -4.8 33.5 14.1 3 5 A I E -a 37 0A 53 33,-3.0 35,-2.4 -2,-0.2 2,-0.2 -0.744 32.4-124.0 -83.9 125.9 -3.6 31.6 17.1 4 6 A P E -a 38 0A 44 0, 0.0 104,-2.8 0, 0.0 2,-0.4 -0.536 33.0-166.1 -73.0 138.0 0.3 31.4 17.1 5 7 A V E -ab 39 108A 0 33,-2.4 35,-2.7 102,-0.2 36,-1.0 -0.977 18.3-162.0-132.5 140.5 1.5 27.8 17.2 6 8 A V E -ab 41 109A 1 102,-2.5 104,-2.6 -2,-0.4 2,-0.5 -0.966 17.5-146.3-116.8 133.7 4.8 26.2 17.9 7 9 A L E -ab 42 110A 0 34,-2.5 36,-2.7 -2,-0.4 2,-0.5 -0.887 11.4-166.3-103.2 131.3 5.2 22.5 16.9 8 10 A L E -ab 43 111A 0 102,-2.8 104,-3.5 -2,-0.5 2,-0.5 -0.967 2.4-167.3-118.1 128.0 7.4 20.2 19.0 9 11 A A E -a 44 0A 6 34,-2.9 36,-2.8 -2,-0.5 2,-0.5 -0.974 3.8-169.6-116.0 122.8 8.5 16.8 17.7 10 12 A C E +a 45 0A 33 -2,-0.5 2,-0.3 102,-0.5 3,-0.1 -0.930 33.6 107.6-108.9 132.3 10.0 14.4 20.2 11 13 A G E S-a 46 0A 27 34,-1.2 36,-1.9 -2,-0.5 -2,-0.0 -0.975 76.0 -78.6 179.2-179.3 11.7 11.3 18.9 12 14 A S - 0 0 41 -2,-0.3 4,-0.1 34,-0.2 -1,-0.1 0.924 38.1-166.0 -66.4 -46.1 15.0 9.5 18.2 13 15 A F > + 0 0 11 2,-0.2 3,-0.7 1,-0.2 53,-0.1 0.978 17.2 177.8 48.7 62.8 16.1 11.3 15.0 14 16 A N T 3 S- 0 0 2 1,-0.8 -1,-0.2 51,-0.1 171,-0.1 -0.541 86.8 -11.9-127.8 63.5 18.6 8.5 14.6 15 17 A P T 3 S- 0 0 0 0, 0.0 -1,-0.8 0, 0.0 -2,-0.2 0.587 94.3-118.8 -96.4 175.1 19.2 10.0 12.1 16 18 A I < - 0 0 0 -3,-0.7 2,-0.2 46,-0.2 186,-0.0 -0.430 39.4-159.5 -65.3 142.2 16.7 12.8 11.2 17 19 A T > - 0 0 0 181,-0.1 4,-1.8 162,-0.1 181,-0.3 -0.731 33.4-104.2-121.6 171.2 15.2 11.9 7.7 18 20 A N H > S+ 0 0 53 179,-2.4 4,-2.4 -2,-0.2 180,-0.2 0.829 122.1 56.4 -64.4 -27.9 13.5 13.7 4.9 19 21 A M H > S+ 0 0 15 178,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.908 104.1 50.3 -70.7 -39.6 10.3 12.1 6.2 20 22 A H H > S+ 0 0 43 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.893 115.2 45.0 -62.0 -39.4 10.7 13.6 9.7 21 23 A L H >X S+ 0 0 29 -4,-1.8 4,-1.3 1,-0.2 3,-0.6 0.884 107.7 57.0 -71.1 -39.3 11.2 17.0 8.1 22 24 A R H 3X S+ 0 0 94 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.844 97.3 64.7 -60.6 -35.2 8.3 16.6 5.7 23 25 A M H 3X S+ 0 0 32 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.882 99.7 51.5 -57.1 -40.9 6.0 16.0 8.7 24 26 A F H <>S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 6,-0.8 0.901 113.5 50.3 -62.1 -40.7 -2.9 24.1 10.5 32 34 A H H ><5S+ 0 0 60 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.901 104.6 58.9 -64.2 -36.3 -2.7 27.2 8.2 33 35 A Q H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.694 93.6 64.4 -66.4 -20.0 -5.5 25.8 6.0 34 36 A T T <<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.610 102.6-136.9 -75.8 -13.7 -7.9 25.7 8.9 35 37 A G T < 5S+ 0 0 38 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.417 83.8 83.1 74.4 -1.3 -7.6 29.4 8.9 36 38 A M S - 0 0 6 41,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.281 29.7-121.9 -66.1 148.3 17.8 11.2 25.8 49 51 A D T 3 S+ 0 0 75 34,-0.4 7,-0.2 1,-0.2 -1,-0.1 0.726 109.2 65.4 -63.7 -19.6 20.5 8.5 25.4 50 52 A T T 3 S+ 0 0 79 36,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.666 82.4 111.7 -77.0 -13.1 19.2 6.7 28.4 51 53 A Y < - 0 0 85 -3,-1.5 5,-0.1 2,-0.0 -4,-0.0 -0.274 68.0 -24.7 -68.5 142.3 15.9 5.9 26.6 52 54 A G S S- 0 0 39 1,-0.1 286,-0.1 -2,-0.1 285,-0.0 0.269 73.7 -75.3 59.2-176.0 14.6 2.5 25.4 53 55 A K S S+ 0 0 84 284,-0.7 -1,-0.1 2,-0.1 2,-0.1 0.635 97.6 87.8 -94.5 -22.8 16.0 -0.9 24.4 54 56 A K S S- 0 0 48 283,-0.2 2,-0.5 1,-0.1 319,-0.1 -0.437 83.6-107.2 -80.8 155.6 17.4 0.1 21.0 55 57 A D - 0 0 146 317,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.720 36.2-166.8 -86.6 128.2 20.9 1.5 20.4 56 58 A L - 0 0 30 -2,-0.5 3,-0.1 -7,-0.2 -42,-0.0 -0.860 26.2-111.7-115.1 146.6 21.0 5.2 19.5 57 59 A A - 0 0 20 -2,-0.3 5,-0.1 1,-0.2 154,-0.0 -0.378 63.5 -72.8 -64.6 158.9 23.9 7.2 18.1 58 60 A A >> - 0 0 42 1,-0.1 4,-2.0 3,-0.1 3,-0.8 -0.214 38.8-124.0 -53.3 142.2 25.1 9.6 20.8 59 61 A S H 3> S+ 0 0 20 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.866 111.9 66.5 -59.3 -29.5 22.7 12.5 21.3 60 62 A H H 3> S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.932 107.0 40.2 -53.7 -47.3 25.6 14.8 20.6 61 63 A H H <> S+ 0 0 44 -3,-0.8 4,-3.1 2,-0.2 -1,-0.2 0.854 113.8 51.8 -69.9 -39.9 25.6 13.4 17.1 62 64 A R H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -46,-0.2 0.902 111.6 47.2 -68.1 -37.0 21.8 13.4 16.7 63 65 A V H X S+ 0 0 11 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.925 113.3 50.5 -66.8 -42.4 21.5 17.0 17.7 64 66 A A H X S+ 0 0 11 -4,-1.8 4,-2.6 -5,-0.4 5,-0.2 0.953 110.5 47.7 -60.6 -50.4 24.4 17.8 15.3 65 67 A M H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.895 111.8 50.5 -59.5 -40.3 22.7 16.1 12.4 66 68 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.947 110.0 50.6 -63.9 -43.0 19.4 17.8 13.1 67 69 A R H < S+ 0 0 124 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.934 113.2 45.6 -58.8 -45.1 21.1 21.2 13.2 68 70 A L H >< S+ 0 0 67 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.901 111.8 51.6 -65.0 -40.8 22.8 20.5 9.9 69 71 A A H >< S+ 0 0 8 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.830 110.8 49.7 -62.0 -35.0 19.6 19.2 8.4 70 72 A L G >< S+ 0 0 12 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.394 77.2 98.2 -88.8 2.0 17.8 22.3 9.5 71 73 A Q G < S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.833 88.0 48.3 -60.5 -30.7 20.3 24.9 8.1 72 74 A T G < S+ 0 0 142 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.3 0.211 94.9 90.9 -94.2 16.1 18.0 25.3 5.1 73 75 A S < - 0 0 30 -3,-2.1 -3,-0.0 3,-0.2 0, 0.0 -0.913 56.4-164.5-107.0 138.1 14.8 25.7 7.2 74 76 A D S S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.349 88.5 29.3-101.4 8.3 13.8 29.2 8.2 75 77 A W S S+ 0 0 20 1,-0.2 -33,-2.4 -5,-0.1 2,-0.4 0.515 101.6 75.8-140.8 -8.1 11.4 28.1 10.9 76 78 A I E +c 42 0A 10 -35,-0.2 2,-0.3 -6,-0.2 -33,-0.2 -0.917 52.3 173.4-112.8 136.0 12.4 24.7 12.4 77 79 A R E -c 43 0A 74 -35,-2.4 -33,-2.6 -2,-0.4 2,-0.4 -0.915 30.5-116.7-135.2 159.7 15.3 24.4 14.9 78 80 A V E -c 44 0A 16 -2,-0.3 -33,-0.2 -35,-0.2 -15,-0.0 -0.773 22.2-163.2 -96.5 144.9 16.8 21.7 17.0 79 81 A D - 0 0 6 -35,-2.7 3,-0.4 -2,-0.4 4,-0.3 -0.956 6.6-169.6-129.7 112.1 16.6 22.1 20.8 80 82 A P > + 0 0 29 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.438 57.6 105.9 -79.2 0.1 19.0 19.8 22.8 81 83 A W H >> S+ 0 0 54 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.912 80.0 48.7 -49.1 -52.3 17.5 20.6 26.2 82 84 A E H >4 S+ 0 0 3 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.909 113.7 45.1 -55.0 -45.3 15.8 17.2 26.5 83 85 A S H 34 S+ 0 0 10 -4,-0.3 -34,-0.4 1,-0.2 -1,-0.2 0.690 105.8 63.1 -75.9 -16.7 18.8 15.2 25.5 84 86 A E H << S+ 0 0 134 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.534 82.8 102.9 -83.5 -7.1 21.1 17.3 27.8 85 87 A Q S << S- 0 0 62 -3,-1.1 4,-0.0 -4,-0.6 3,-0.0 -0.329 85.8-114.0 -74.4 161.6 19.2 16.1 30.9 86 88 A A S S+ 0 0 94 1,-0.1 2,-0.3 -38,-0.1 -1,-0.1 0.901 94.1 11.4 -61.6 -39.5 20.6 13.5 33.2 87 89 A Q S S- 0 0 142 1,-0.1 -2,-0.1 -38,-0.1 -1,-0.1 -0.894 92.0 -74.8-139.4 168.6 17.8 11.1 32.2 88 90 A W - 0 0 98 -2,-0.3 2,-0.4 -40,-0.1 -1,-0.1 -0.176 46.1-153.4 -55.4 151.6 15.0 10.4 29.9 89 91 A M - 0 0 33 -4,-0.0 -41,-0.1 -41,-0.0 5,-0.1 -0.994 21.1-106.0-134.8 137.5 11.9 12.4 30.5 90 92 A E >> - 0 0 43 -2,-0.4 3,-1.4 1,-0.1 4,-1.0 -0.324 37.6-114.7 -59.5 144.8 8.3 11.6 29.8 91 93 A T H >> S+ 0 0 19 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.836 112.5 63.5 -53.9 -36.0 7.1 13.7 26.8 92 94 A V H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.877 101.6 52.0 -59.7 -32.5 4.6 15.7 28.8 93 95 A K H <> S+ 0 0 85 -3,-1.4 4,-2.1 2,-0.2 -1,-0.3 0.805 106.9 51.8 -73.8 -28.4 7.5 17.1 30.9 94 96 A V H X S+ 0 0 60 -4,-2.4 4,-1.3 2,-0.2 3,-1.0 0.936 107.2 49.3 -68.2 -46.1 5.8 25.9 27.2 100 102 A S H 3< S+ 0 0 72 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.880 105.7 58.4 -59.3 -37.2 7.4 27.7 30.1 101 103 A K H 3< S+ 0 0 113 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.772 102.6 54.1 -63.7 -26.4 10.1 28.8 27.8 102 104 A L H << 0 0 54 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.836 360.0 360.0 -75.9 -34.2 7.5 30.5 25.6 103 105 A L < 0 0 132 -4,-1.3 3,-0.0 -3,-0.3 -4,-0.0 -0.406 360.0 360.0 -61.3 360.0 6.1 32.4 28.6 104 ! 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 0.0 105 126 A A 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.1 -1.0 36.1 24.0 106 127 A V - 0 0 64 1,-0.1 -3,-0.1 -103,-0.0 -7,-0.0 -0.652 360.0-118.6 -81.7 129.1 1.0 33.0 24.5 107 128 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -102,-0.2 -0.284 29.7-108.5 -64.7 153.0 1.3 30.8 21.5 108 129 A E E -b 5 0A 72 -104,-2.8 -102,-2.5 1,-0.0 2,-0.5 -0.686 25.9-143.8 -85.6 135.9 -0.1 27.3 21.7 109 130 A L E -b 6 0A 3 -2,-0.4 2,-0.4 29,-0.3 -102,-0.2 -0.880 20.9-174.9-101.9 122.8 2.5 24.4 21.9 110 131 A K E -b 7 0A 1 -104,-2.6 -102,-2.8 -2,-0.5 2,-0.5 -0.942 25.4-122.7-123.1 143.5 1.4 21.2 20.1 111 132 A L E -bd 8 141A 8 29,-2.6 31,-2.5 -2,-0.4 2,-0.5 -0.691 24.5-149.2 -83.7 126.7 3.1 17.9 19.9 112 133 A L E + d 0 142A 3 -104,-3.5 -102,-0.5 -2,-0.5 2,-0.3 -0.837 33.3 144.9 -98.5 126.8 3.8 16.8 16.3 113 134 A C E - d 0 143A 11 29,-2.6 31,-2.3 -2,-0.5 2,-0.2 -0.971 48.7 -92.3-154.3 169.7 3.8 13.1 15.6 114 135 A G E >> - d 0 144A 7 -2,-0.3 3,-2.4 29,-0.2 4,-0.5 -0.501 43.3-109.8 -81.2 157.2 2.9 10.3 13.2 115 136 A A H >> S+ 0 0 0 29,-2.4 4,-0.8 1,-0.3 3,-0.7 0.748 115.2 72.3 -59.1 -21.3 -0.5 8.7 13.4 116 137 A D H 3> S+ 0 0 31 28,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.709 85.4 65.8 -66.0 -20.2 1.2 5.6 14.8 117 138 A V H <> S+ 0 0 29 -3,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.867 93.3 59.1 -70.3 -35.3 1.8 7.4 18.0 118 139 A L H << S+ 0 0 1 -3,-0.7 3,-0.5 -4,-0.5 4,-0.4 0.868 103.6 52.9 -60.3 -33.8 -1.9 7.5 18.7 119 140 A K H >< S+ 0 0 83 -4,-0.8 3,-2.5 1,-0.2 4,-0.2 0.941 102.0 57.4 -68.3 -43.4 -1.8 3.7 18.6 120 141 A T H >< S+ 0 0 44 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.708 90.2 72.8 -60.0 -20.5 1.0 3.5 21.1 121 142 A F T 3< S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.5 6,-0.3 0.786 91.3 60.8 -62.8 -24.7 -1.2 5.4 23.6 122 143 A Q T < S+ 0 0 46 -3,-2.5 146,-0.4 -4,-0.4 -1,-0.3 0.594 79.4 110.8 -78.2 -11.4 -3.1 2.1 23.7 123 144 A T S X> S- 0 0 27 -3,-1.6 3,-2.2 -4,-0.2 4,-0.6 -0.485 78.1-110.3 -71.4 123.5 -0.1 0.2 25.1 124 145 A P T 34 S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.235 96.8 -1.5 -53.9 131.6 -0.4 -0.9 28.7 125 146 A N T 34 S+ 0 0 147 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.433 104.4 105.0 69.8 0.7 1.9 1.0 31.0 126 147 A L T <4 S+ 0 0 50 -3,-2.2 2,-0.4 1,-0.2 -1,-0.1 0.936 85.8 18.2 -80.5 -44.1 3.5 3.1 28.2 127 148 A W S < S- 0 0 47 -4,-0.6 -1,-0.2 -6,-0.3 2,-0.2 -0.985 81.4-119.6-127.4 135.6 1.8 6.4 28.8 128 149 A K >> - 0 0 129 -2,-0.4 4,-2.6 1,-0.2 3,-0.8 -0.559 21.2-130.6 -73.0 136.5 0.0 7.6 32.0 129 150 A D H 3> S+ 0 0 98 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.877 110.4 56.0 -52.8 -40.0 -3.6 8.4 31.3 130 151 A A H 3> S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.855 108.7 47.5 -61.6 -36.1 -3.1 11.6 33.1 131 152 A H H <> S+ 0 0 22 -3,-0.8 4,-3.0 2,-0.2 -2,-0.2 0.908 108.7 52.2 -72.5 -43.3 -0.3 12.5 30.7 132 153 A I H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.933 112.1 48.2 -57.9 -43.9 -2.3 11.5 27.6 133 154 A Q H X S+ 0 0 85 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.941 112.5 46.4 -62.1 -49.2 -5.0 13.8 28.9 134 155 A E H X>S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 5,-0.8 0.898 110.1 55.0 -60.9 -41.8 -2.7 16.7 29.6 135 156 A I H X>S+ 0 0 0 -4,-3.0 5,-3.4 1,-0.2 4,-0.9 0.955 117.4 34.0 -58.0 -49.3 -1.0 16.3 26.2 136 157 A V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 125.8 40.8 -76.8 -34.7 -4.2 16.6 24.3 137 158 A E H <5S+ 0 0 71 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.940 125.4 28.5 -78.4 -49.8 -6.0 19.0 26.5 138 159 A K H <5S+ 0 0 136 -4,-2.2 -29,-0.3 -5,-0.3 -3,-0.2 0.674 139.0 13.7 -89.3 -18.5 -3.3 21.5 27.5 139 160 A F T < - 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0 0 125 -2,-0.4 4,-2.3 -3,-0.1 3,-0.9 -0.458 19.9-130.0 -66.2 134.4 10.2 -9.8 28.7 344 150 B D H 3> S+ 0 0 96 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.894 110.0 56.7 -51.4 -43.4 13.6 -10.4 27.1 345 151 B A H 3> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.856 108.2 48.2 -57.8 -35.2 13.5 -13.9 28.4 346 152 B H H <> S+ 0 0 13 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.921 108.9 50.5 -73.3 -44.2 10.2 -14.4 26.5 347 153 B I H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.955 112.8 49.4 -56.7 -47.8 11.5 -12.9 23.3 348 154 B Q H X S+ 0 0 75 -4,-2.8 4,-1.8 1,-0.2 5,-0.4 0.928 110.1 49.4 -56.9 -47.7 14.5 -15.3 23.6 349 155 B E H X>S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 5,-1.5 0.902 107.2 55.9 -61.2 -40.4 12.2 -18.3 24.2 350 156 B I H <5S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -24,-0.2 0.942 118.3 31.7 -57.6 -47.8 10.0 -17.5 21.2 351 157 B V H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.579 127.0 40.8 -88.8 -9.2 13.0 -17.5 18.8 352 158 B E H <5S+ 0 0 99 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.849 126.4 26.8-104.0 -44.3 15.1 -20.1 20.5 353 159 B K T <5S+ 0 0 118 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.839 138.4 12.0 -84.7 -39.1 12.7 -22.8 21.7 354 160 B F S - 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0 0 95 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.1 -0.612 54.7 -97.7 -93.6 157.3 -19.9 1.7 5.1 408 214 B S + 0 0 91 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.435 33.0 174.8 -71.4 142.5 -19.2 -1.5 3.2 409 215 B V >> + 0 0 5 -2,-0.1 3,-2.2 4,-0.1 4,-1.2 0.081 34.8 141.5-127.9 16.0 -16.2 -3.7 4.2 410 216 B K B 34 S+l 413 0D 87 1,-0.3 -2,-0.0 2,-0.2 5,-0.0 -0.323 70.0 21.3 -59.8 143.4 -17.2 -6.3 1.6 411 217 B Y T 34 S+ 0 0 178 2,-0.6 -1,-0.3 1,-0.1 4,-0.0 0.338 113.3 76.4 74.7 -2.3 -14.1 -7.9 -0.1 412 218 B L T <4 S+ 0 0 51 -3,-2.2 -179,-2.5 1,-0.4 -178,-0.4 0.688 108.1 14.3-103.1 -31.8 -12.0 -6.7 2.9 413 219 B I B < S-l 410 0D 1 -4,-1.2 -2,-0.6 -181,-0.2 -1,-0.4 -0.952 105.1 -72.4-136.4 158.0 -13.2 -9.5 5.3 414 220 B P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.139 37.2-124.2 -54.2 141.4 -15.1 -12.7 4.5 415 221 B D H 3> S+ 0 0 81 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.885 110.6 54.6 -50.7 -46.1 -18.7 -12.5 3.6 416 222 B A H 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.837 106.5 52.1 -62.9 -31.3 -19.8 -14.9 6.3 417 223 B V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.875 107.1 52.7 -71.3 -36.9 -18.0 -12.7 8.9 418 224 B I H X S+ 0 0 42 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.940 110.4 47.9 -62.2 -44.2 -19.9 -9.6 7.6 419 225 B T H X S+ 0 0 79 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.928 110.7 51.3 -63.6 -43.4 -23.2 -11.5 8.0 420 226 B Y H X S+ 0 0 30 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.915 108.5 51.7 -58.8 -45.0 -22.3 -12.6 11.5 421 227 B I H <>S+ 0 0 8 -4,-2.5 5,-2.3 2,-0.2 4,-0.4 0.917 113.0 44.6 -58.9 -45.1 -21.4 -9.0 12.5 422 228 B K H ><5S+ 0 0 174 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.947 111.5 53.4 -66.0 -46.2 -24.8 -7.8 11.2 423 229 B D H 3<5S+ 0 0 113 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 117.5 36.4 -59.9 -32.0 -26.7 -10.6 12.9 424 230 B H T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.334 106.6-121.5-105.9 10.2 -25.2 -9.9 16.2 425 231 B G T < 5 + 0 0 42 -3,-1.3 3,-0.5 -4,-0.4 -3,-0.2 0.890 51.4 168.1 54.7 42.9 -25.1 -6.2 16.0 426 232 B L < + 0 0 23 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.0 -0.539 52.3 17.3 -87.4 157.1 -21.3 -6.0 16.5 427 233 B Y 0 0 36 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.845 360.0 360.0 55.4 41.3 -19.2 -2.9 16.0 428 234 B T 0 0 153 -3,-0.5 -24,-0.2 -23,-0.1 -1,-0.2 -0.542 360.0 360.0 -95.0 360.0 -22.1 -0.4 16.0