==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-13 4IR0 . COMPND 2 MOLECULE: METALLOTHIOL TRANSFERASE FOSB 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR N.MALTSEVA,Y.KIM,R.JEDRZEJCZAK,R.ZHANG,W.F.ANDERSON,A.JOACHI . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 20.3 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 1 0.4 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 1 4 2 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 . 0 0 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 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 0 A X 0 0 71 0, 0.0 2,-0.0 0, 0.0 221,-0.0 0.000 360.0 360.0 360.0-127.5 0.3 41.1 124.1 2 1 A X - 0 0 135 1,-0.1 2,-0.4 2,-0.0 217,-0.4 -0.251 360.0-133.2 -78.3 153.0 2.1 41.0 120.7 3 2 A L - 0 0 12 170,-0.2 215,-0.2 1,-0.1 187,-0.1 -0.866 14.7-159.4 -95.2 137.0 3.4 38.0 118.7 4 3 A Q - 0 0 115 213,-2.3 2,-0.3 -2,-0.4 -1,-0.1 0.769 54.5 -61.1 -92.3 -29.0 7.0 38.7 117.5 5 4 A G S S- 0 0 15 212,-0.5 212,-2.8 186,-0.0 -1,-0.4 -0.947 74.3 -37.8 164.7 178.4 7.1 36.3 114.6 6 5 A I E -A 216 0A 58 -2,-0.3 210,-0.3 210,-0.2 3,-0.1 -0.415 44.5-177.2 -66.8 136.2 6.9 32.6 113.6 7 6 A N E - 0 0 14 208,-3.3 40,-0.5 1,-0.4 2,-0.3 0.865 55.1 -37.6-101.9 -57.5 8.5 30.3 116.1 8 7 A H E -A 215 0A 9 207,-0.9 207,-3.4 38,-0.1 2,-0.4 -0.981 42.9-129.9-161.6 164.5 8.2 26.8 114.5 9 8 A I E -Ab 214 48A 5 38,-2.1 40,-3.2 -2,-0.3 2,-0.4 -0.972 20.3-158.6-117.7 139.2 6.0 24.5 112.5 10 9 A C E -Ab 213 49A 2 203,-3.1 203,-1.6 -2,-0.4 2,-0.5 -0.970 2.5-162.0-119.3 133.2 5.2 20.9 113.6 11 10 A F E - b 0 50A 10 38,-3.0 40,-2.5 -2,-0.4 2,-0.6 -0.957 16.7-134.9-115.2 129.2 4.1 18.2 111.3 12 11 A S E - b 0 51A 0 -2,-0.5 2,-0.3 38,-0.2 40,-0.2 -0.729 32.7-174.6 -79.4 118.6 2.4 15.0 112.5 13 12 A V E - b 0 52A 0 38,-2.2 40,-2.2 -2,-0.6 3,-0.2 -0.864 30.6-153.5-119.7 151.0 4.0 12.1 110.6 14 13 A S S S+ 0 0 52 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.534 92.8 33.8 -96.4 -9.5 3.3 8.4 110.5 15 14 A N >> - 0 0 49 1,-0.1 4,-2.5 22,-0.0 3,-0.6 -0.719 61.8-170.3-151.5 91.7 6.8 7.3 109.7 16 15 A L H 3> S+ 0 0 3 20,-0.2 4,-1.8 1,-0.2 5,-0.1 0.839 88.2 54.2 -51.2 -39.9 9.7 9.4 111.1 17 16 A E H 3> S+ 0 0 108 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.863 114.7 37.2 -69.2 -38.7 12.3 7.6 109.0 18 17 A K H <> S+ 0 0 105 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.762 113.0 57.0 -84.9 -28.5 10.6 8.3 105.6 19 18 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.865 102.3 57.2 -70.1 -34.2 9.4 11.8 106.5 20 19 A I H X S+ 0 0 14 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.940 106.5 47.7 -59.6 -48.7 13.0 12.8 107.3 21 20 A E H X S+ 0 0 90 -4,-1.0 4,-2.2 1,-0.2 5,-0.3 0.842 111.8 52.2 -64.3 -31.0 14.1 11.8 103.8 22 21 A F H X>S+ 0 0 20 -4,-1.4 4,-2.6 2,-0.2 5,-0.9 0.960 112.0 43.3 -65.8 -51.9 11.1 13.7 102.3 23 22 A Y H <5S+ 0 0 0 -4,-2.6 6,-2.8 1,-0.2 -2,-0.2 0.770 117.1 48.3 -70.3 -24.2 11.9 17.0 104.2 24 23 A Q H <5S+ 0 0 83 -4,-2.0 4,-0.3 4,-0.2 -1,-0.2 0.912 122.5 30.4 -77.0 -45.5 15.6 16.7 103.4 25 24 A K H <5S+ 0 0 118 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.942 129.0 32.5 -81.2 -51.3 15.2 16.0 99.7 26 25 A I T <5S+ 0 0 3 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.893 132.3 28.4 -78.9 -41.4 12.1 17.8 98.6 27 26 A L S S- D 0 46A 4 3,-2.6 3,-1.2 -2,-0.5 -14,-0.1 -0.815 74.6 -45.6-120.7 89.8 14.8 25.5 106.7 44 43 A N T 3 S- 0 0 106 -2,-0.5 108,-0.1 1,-0.3 3,-0.1 0.842 124.9 -36.1 55.4 37.8 16.4 28.8 105.8 45 44 A G T 3 S+ 0 0 71 1,-0.3 2,-0.5 106,-0.1 -1,-0.3 0.354 114.9 121.3 99.0 -4.2 16.1 29.9 109.5 46 45 A L E < - D 0 43A 14 -3,-1.2 -3,-2.6 -38,-0.0 2,-0.6 -0.830 59.4-135.7 -99.9 127.5 12.8 28.2 110.0 47 46 A W E - D 0 42A 11 -2,-0.5 -38,-2.1 -40,-0.5 2,-0.5 -0.688 26.1-175.8 -80.3 117.9 12.4 25.6 112.7 48 47 A I E -bD 9 41A 0 -7,-2.3 -7,-2.9 -2,-0.6 2,-0.4 -0.971 3.6-166.0-120.9 128.6 10.5 22.6 111.5 49 48 A A E -bD 10 40A 5 -40,-3.2 -38,-3.0 -2,-0.5 2,-0.5 -0.875 11.8-157.4-114.0 143.5 9.5 19.6 113.6 50 49 A L E -bD 11 39A 0 -11,-2.1 -11,-1.1 -2,-0.4 2,-0.5 -0.983 15.1-173.9-114.9 118.4 8.3 16.2 112.8 51 50 A N E -bD 12 38A 39 -40,-2.5 -38,-2.2 -2,-0.5 2,-0.4 -0.955 23.5-122.7-114.0 130.8 6.3 14.5 115.6 52 51 A V E +b 13 0A 18 -15,-2.3 2,-0.4 -2,-0.5 -38,-0.2 -0.568 30.8 171.1 -79.7 123.8 5.2 10.9 115.3 53 52 A E - 0 0 49 -40,-2.2 3,-0.3 -2,-0.4 -2,-0.0 -0.948 19.8-161.1-125.9 111.1 1.5 10.0 115.6 54 53 A E + 0 0 110 -2,-0.4 -1,-0.1 1,-0.2 -40,-0.0 0.666 68.5 13.5 -77.6 -27.0 1.4 6.4 114.6 55 54 A D S S+ 0 0 156 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.252 79.2 137.2-138.3 15.4 -2.2 5.4 113.6 56 55 A I - 0 0 27 -3,-0.3 2,-0.2 1,-0.1 -3,-0.1 -0.271 62.2 -95.6 -74.3 152.0 -4.4 8.5 113.2 57 56 A P + 0 0 46 0, 0.0 152,-0.2 0, 0.0 -1,-0.1 -0.504 41.7 175.3 -61.8 126.1 -7.0 9.0 110.3 58 57 A R + 0 0 33 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.254 50.0 93.3-129.3 44.4 -5.3 11.0 107.6 59 58 A N S > S+ 0 0 110 2,-0.1 3,-1.0 3,-0.1 4,-0.3 0.779 74.9 57.6-105.8 -36.5 -8.0 11.1 104.9 60 59 A E G > S+ 0 0 26 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.779 93.8 70.0 -67.1 -27.0 -9.9 14.3 105.5 61 60 A I G > S+ 0 0 55 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.773 87.1 66.2 -62.2 -27.5 -6.8 16.4 105.1 62 61 A K G < S+ 0 0 118 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.754 99.5 52.6 -64.7 -24.6 -6.7 15.5 101.4 63 62 A Q G < S+ 0 0 104 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.2 0.544 92.6 88.2 -90.5 -9.1 -9.9 17.5 101.0 64 63 A S < - 0 0 17 -3,-1.1 50,-0.1 -4,-0.4 140,-0.0 -0.790 64.2-151.4 -98.6 133.8 -8.6 20.7 102.7 65 64 A Y + 0 0 33 -2,-0.4 2,-0.2 132,-0.1 -1,-0.1 0.370 53.4 131.5 -83.7 5.5 -6.8 23.4 100.7 66 65 A T + 0 0 35 -5,-0.1 48,-0.6 92,-0.1 2,-0.3 -0.417 34.3 153.1 -58.9 126.3 -4.8 24.4 103.7 67 66 A H E -hI 114 156B 9 89,-1.7 89,-3.0 -2,-0.2 2,-0.4 -0.971 42.7-126.7-155.5 165.2 -1.2 24.6 102.5 68 67 A X E -hI 115 155B 11 46,-1.7 48,-1.8 -2,-0.3 2,-0.4 -0.978 24.9-154.3-122.7 130.7 2.2 26.2 103.1 69 68 A A E -hI 116 154B 0 85,-3.2 84,-2.8 -2,-0.4 85,-1.0 -0.850 5.2-162.2-112.7 141.5 4.1 27.9 100.2 70 69 A F E -hI 117 152B 0 46,-3.2 48,-3.3 -2,-0.4 2,-0.4 -0.899 25.9-112.6-117.5 149.4 7.9 28.5 99.7 71 70 A T E +h 118 0B 21 80,-2.7 79,-3.0 -2,-0.3 2,-0.3 -0.650 41.3 161.0 -86.3 129.5 9.5 31.0 97.3 72 71 A V - 0 0 4 46,-2.7 2,-0.1 -2,-0.4 45,-0.0 -0.958 36.9-110.4-138.0 159.3 11.5 29.7 94.3 73 72 A T > - 0 0 73 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.288 39.0-102.0 -78.5 174.0 12.6 31.3 91.0 74 73 A N H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.889 122.1 45.7 -68.6 -40.4 11.1 30.3 87.7 75 74 A E H > S+ 0 0 169 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.837 112.3 53.0 -69.4 -32.5 14.0 28.0 86.6 76 75 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.855 102.7 58.5 -68.9 -36.4 14.1 26.5 90.1 77 76 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.889 108.4 45.2 -59.3 -40.6 10.4 25.7 89.8 78 77 A D H X S+ 0 0 94 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.789 112.1 51.5 -77.1 -28.0 11.0 23.6 86.7 79 78 A H H X S+ 0 0 118 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.891 111.2 48.9 -69.0 -40.3 14.0 21.9 88.4 80 79 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.849 102.5 59.2 -71.7 -36.1 11.9 21.0 91.4 81 80 A K H X S+ 0 0 84 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.898 108.9 46.1 -60.1 -39.6 9.0 19.6 89.4 82 81 A E H X S+ 0 0 104 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.897 110.9 52.5 -68.0 -40.4 11.4 17.0 87.9 83 82 A V H X S+ 0 0 17 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.900 109.5 49.5 -60.0 -42.0 12.9 16.3 91.4 84 83 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 -1,-0.2 0.805 111.7 49.7 -67.0 -30.3 9.3 15.7 92.7 85 84 A I H ><5S+ 0 0 92 -4,-1.4 3,-1.2 -5,-0.2 -2,-0.2 0.925 112.0 45.4 -73.8 -46.2 8.7 13.4 89.7 86 85 A Q H 3<5S+ 0 0 134 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.620 113.6 51.7 -75.5 -10.8 11.9 11.3 90.2 87 86 A N T 3<5S- 0 0 57 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.256 112.8-116.7-107.6 11.2 11.2 11.1 93.9 88 87 A D T < 5 + 0 0 149 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.876 51.3 168.7 61.6 45.7 7.7 9.9 93.6 89 88 A V < - 0 0 18 -5,-2.7 2,-0.8 -6,-0.1 -1,-0.2 -0.727 43.3-111.8 -91.7 135.6 5.9 12.8 95.2 90 89 A N - 0 0 92 -2,-0.4 18,-1.5 18,-0.4 2,-0.6 -0.557 36.2-157.7 -62.5 106.5 2.1 13.2 95.0 91 90 A I E -J 107 0B 54 -2,-0.8 16,-0.3 16,-0.2 -1,-0.0 -0.828 8.2-141.0 -94.4 121.3 1.7 16.2 92.7 92 91 A L E -J 106 0B 36 14,-1.8 14,-0.6 -2,-0.6 2,-0.4 -0.477 15.0-117.3 -79.9 144.1 -1.6 18.0 93.1 93 92 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.720 39.9-145.9 -69.3 129.1 -3.6 19.5 90.3 94 93 A G - 0 0 44 -2,-0.4 3,-0.1 1,-0.2 2,-0.0 -0.330 22.4 -85.1 -88.2 178.2 -3.7 23.2 91.3 95 94 A R - 0 0 96 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 -0.308 58.3 -79.9 -72.7 165.6 -6.5 25.7 90.6 96 95 A E - 0 0 183 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 -0.423 58.6-152.6 -60.4 142.6 -6.9 27.5 87.3 97 96 A R - 0 0 70 -3,-0.1 2,-0.3 -2,-0.1 6,-0.1 -0.772 17.7-136.8-118.3 163.4 -4.5 30.4 87.3 98 97 A D > - 0 0 54 -2,-0.3 3,-1.5 4,-0.1 4,-0.3 -0.827 33.5-118.0-104.1 155.7 -4.1 33.8 85.7 99 98 A E G > S+ 0 0 172 -2,-0.3 3,-1.2 1,-0.3 4,-0.1 0.798 115.3 60.7 -65.8 -25.3 -0.6 34.6 84.4 100 99 A R G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 28,-0.1 0.582 89.4 69.7 -77.5 -10.8 -0.4 37.4 86.9 101 100 A D G < S- 0 0 7 -3,-1.5 19,-0.3 1,-0.1 -1,-0.3 0.605 105.4-131.6 -75.7 -12.9 -0.8 35.0 89.7 102 101 A Q < - 0 0 66 -3,-1.2 -4,-0.1 -4,-0.3 -2,-0.1 0.272 34.3 -59.8 65.9 158.7 2.7 33.8 88.9 103 102 A R - 0 0 123 -4,-0.1 16,-1.8 15,-0.1 17,-0.4 -0.329 55.5-179.2 -77.5 150.3 3.5 30.1 88.5 104 103 A S E - K 0 118B 12 14,-0.2 2,-0.4 15,-0.1 14,-0.2 -0.973 21.8-151.5-145.6 159.0 3.1 27.4 91.2 105 104 A L E - K 0 117B 12 12,-1.6 12,-2.1 -2,-0.3 2,-0.4 -0.999 17.0-158.6-130.9 128.5 3.5 23.7 92.0 106 105 A Y E +JK 92 116B 14 -14,-0.6 -14,-1.8 -2,-0.4 2,-0.3 -0.896 24.6 143.0-112.7 139.6 1.3 21.9 94.5 107 106 A F E -JK 91 115B 0 8,-2.2 8,-4.1 -2,-0.4 2,-0.3 -0.950 32.6-125.5-160.8 173.3 2.2 18.7 96.3 108 107 A T E - K 0 114B 16 -18,-1.5 -18,-0.4 -2,-0.3 6,-0.2 -0.904 17.6-120.2-130.5 159.2 2.0 16.8 99.6 109 108 A D > - 0 0 4 4,-1.5 3,-2.4 -2,-0.3 -90,-0.1 -0.381 54.9 -82.1 -85.0 172.5 4.2 15.1 102.1 110 109 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -91,-0.0 0.624 131.3 47.5 -55.0 -11.9 3.8 11.3 102.8 111 110 A D T 3 S- 0 0 10 2,-0.1 -50,-0.1 -92,-0.0 -99,-0.1 0.205 123.3 -94.7-117.1 15.4 1.0 12.2 105.3 112 111 A G < + 0 0 4 -3,-2.4 2,-0.5 1,-0.3 -5,-0.0 0.447 68.6 149.3 95.8 0.7 -1.1 14.6 103.2 113 112 A H - 0 0 13 -101,-0.1 -4,-1.5 1,-0.1 2,-0.3 -0.576 45.7-129.3 -69.5 121.2 0.3 18.0 104.3 114 113 A K E -hK 67 108B 34 -48,-0.6 -46,-1.7 -2,-0.5 2,-0.3 -0.545 29.6-178.1 -80.5 132.7 -0.1 20.3 101.2 115 114 A F E -hK 68 107B 0 -8,-4.1 -8,-2.2 -2,-0.3 2,-0.3 -0.834 8.1-158.5-124.3 165.3 2.9 22.3 100.1 116 115 A E E -hK 69 106B 1 -48,-1.8 -46,-3.2 -2,-0.3 2,-0.6 -0.996 14.2-150.6-147.3 135.9 3.5 24.8 97.3 117 116 A F E -hK 70 105B 0 -12,-2.1 -12,-1.6 -2,-0.3 2,-0.4 -0.950 29.9-171.1-101.7 121.4 6.5 26.2 95.4 118 117 A H E -hK 71 104B 1 -48,-3.3 -46,-2.7 -2,-0.6 -14,-0.2 -0.920 27.9-169.4-122.6 141.3 5.6 29.8 94.4 119 118 A T S S+ 0 0 22 -16,-1.8 -45,-0.1 -2,-0.4 -1,-0.1 0.652 71.6 67.5 -97.1 -21.1 7.4 32.2 92.1 120 119 A G - 0 0 0 -17,-0.4 2,-0.3 -19,-0.3 -48,-0.1 -0.019 67.8-140.9 -89.2-166.8 5.4 35.3 93.0 121 120 A T > - 0 0 35 1,-0.1 4,-1.9 -50,-0.1 5,-0.1 -0.859 34.7 -97.4-143.9 177.2 5.0 37.4 96.1 122 121 A L H > S+ 0 0 34 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.851 122.6 61.1 -66.2 -35.6 2.4 39.2 98.2 123 122 A Q H > S+ 0 0 123 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.966 107.1 41.9 -50.2 -61.2 3.6 42.3 96.3 124 123 A N H > S+ 0 0 39 1,-0.2 4,-3.7 2,-0.2 -2,-0.2 0.904 112.9 52.5 -55.7 -49.8 2.6 40.9 92.9 125 124 A R H X S+ 0 0 12 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.840 116.4 40.7 -59.3 -35.3 -0.7 39.4 94.2 126 125 A L H X S+ 0 0 28 -4,-2.2 4,-1.5 -3,-0.2 -1,-0.2 0.809 115.8 50.0 -81.0 -32.1 -1.6 42.9 95.6 127 126 A E H X S+ 0 0 119 -4,-2.9 4,-1.3 -5,-0.3 -2,-0.2 0.828 111.7 52.0 -71.3 -32.3 -0.2 44.6 92.5 128 127 A Y H >X S+ 0 0 28 -4,-3.7 4,-2.2 -5,-0.2 3,-0.9 0.995 112.4 40.9 -60.3 -67.8 -2.3 42.1 90.5 129 128 A Y H 3X S+ 0 0 67 -4,-2.0 4,-1.3 1,-0.3 -2,-0.2 0.767 114.5 54.2 -58.6 -28.9 -5.6 42.8 92.2 130 129 A K H 3X S+ 0 0 137 -4,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.802 106.8 49.5 -77.8 -29.9 -4.9 46.5 92.3 131 130 A E H < S+ 0 0 121 -4,-1.3 3,-0.8 -5,-0.2 -1,-0.2 0.851 106.7 53.2 -68.6 -37.7 -9.1 47.5 90.3 134 133 A K H >< S+ 0 0 142 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.808 99.3 64.3 -69.3 -29.9 -7.6 50.4 88.3 135 134 A H H 3< S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.7 49.4 -60.9 -29.8 -9.1 48.8 85.2 136 135 A X T << S+ 0 0 122 -3,-0.8 2,-0.5 -4,-0.6 -1,-0.3 0.018 92.2 93.1-102.8 25.2 -12.6 49.5 86.7 137 136 A T < + 0 0 68 -3,-1.6 3,-0.1 1,-0.1 -4,-0.0 -0.977 34.8 154.0-123.2 118.0 -11.8 53.2 87.5 138 137 A F + 0 0 176 -2,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.689 64.1 53.1-117.3 -32.5 -12.8 55.8 85.0 139 138 A Y - 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0 0 3 46,-2.6 2,-0.1 -2,-0.4 -215,-0.1 -0.961 37.1-112.5-138.4 157.8 5.6 35.4 122.7 219 72 B T > - 0 0 57 -217,-0.4 4,-2.2 -2,-0.3 3,-0.2 -0.451 39.8-103.4 -81.0 166.2 7.0 36.6 126.0 220 73 B N H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.814 122.6 44.1 -63.4 -32.1 6.0 34.9 129.2 221 74 B E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.709 108.7 57.4 -86.9 -19.9 3.7 37.7 130.3 222 75 B A H > S+ 0 0 0 -3,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.903 107.0 51.2 -67.3 -41.5 2.3 38.0 126.8 223 76 B L H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.910 108.4 49.8 -59.8 -47.2 1.4 34.3 127.3 224 77 B D H X S+ 0 0 88 -4,-1.5 4,-0.9 1,-0.2 3,-0.2 0.950 116.9 41.5 -55.6 -51.1 -0.3 35.1 130.6 225 78 B H H X S+ 0 0 96 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.871 111.8 54.9 -66.1 -39.0 -2.3 37.9 129.0 226 79 B L H X S+ 0 0 3 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.804 98.7 63.6 -66.5 -28.6 -3.0 35.9 125.8 227 80 B K H X S+ 0 0 92 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.885 105.3 44.8 -63.6 -38.9 -4.5 33.0 127.9 228 81 B E H X S+ 0 0 98 -4,-0.9 4,-2.7 -3,-0.4 -1,-0.2 0.819 108.6 57.8 -72.9 -31.0 -7.3 35.4 129.1 229 82 B V H X S+ 0 0 29 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.930 108.8 46.6 -61.0 -45.7 -7.7 36.6 125.5 230 83 B L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 3,-0.4 0.959 114.9 44.6 -59.1 -57.0 -8.4 33.1 124.4 231 84 B I H ><5S+ 0 0 70 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.900 112.3 52.6 -55.2 -45.5 -10.8 32.3 127.2 232 85 B Q H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 112.5 45.1 -63.7 -30.5 -12.6 35.6 126.8 233 86 B N T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.216 113.6-118.0 -97.3 14.7 -13.1 34.9 123.1 234 87 B D T < 5 + 0 0 148 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.814 49.9 178.5 53.5 34.9 -14.2 31.3 123.8 235 88 B V < - 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0 0 62 -3,-1.4 2,-0.2 -4,-0.2 18,-0.1 0.127 31.9 -53.5 65.1 170.0 9.6 26.6 128.2 249 102 B R + 0 0 104 16,-0.1 16,-1.9 -3,-0.0 2,-0.3 -0.525 59.2 170.0 -87.9 142.2 6.0 27.7 128.4 250 103 B S E - G 0 264A 25 -2,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.941 23.2-154.9-144.2 164.5 3.3 27.2 125.7 251 104 B L E - G 0 263A 16 12,-1.4 12,-2.2 -2,-0.3 2,-0.4 -0.949 15.5-158.0-145.6 119.0 -0.4 27.5 125.1 252 105 B Y E +FG 238 262A 17 -14,-0.5 -14,-2.1 -2,-0.3 2,-0.3 -0.818 23.5 146.4-107.2 139.5 -2.1 25.4 122.4 253 106 B F E -FG 237 261A 0 8,-2.1 8,-3.2 -2,-0.4 2,-0.3 -0.911 31.8-124.1-155.5 175.8 -5.4 26.3 120.7 254 107 B T E -FG 236 260A 5 -18,-1.7 -18,-0.6 -2,-0.3 6,-0.2 -0.949 16.3-123.4-131.6 155.0 -7.4 26.0 117.5 255 108 B D > - 0 0 2 4,-2.0 3,-1.9 -2,-0.3 -90,-0.1 -0.306 54.3 -84.2 -80.3 175.3 -9.2 28.4 115.0 256 109 B P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -91,-0.0 0.774 129.5 50.2 -57.7 -24.3 -12.9 27.7 114.3 257 110 B D T 3 S- 0 0 10 2,-0.1 -50,-0.1 -96,-0.1 -99,-0.1 0.324 123.3 -96.4-100.4 6.9 -12.0 25.0 111.7 258 111 B G < + 0 0 3 -3,-1.9 2,-0.3 1,-0.3 -5,-0.0 0.428 69.8 148.2 100.8 -1.1 -9.6 23.0 113.7 259 112 B H - 0 0 12 1,-0.1 -4,-2.0 -46,-0.0 -1,-0.3 -0.552 43.6-133.8 -67.3 125.7 -6.2 24.4 112.6 260 113 B K E -eG 213 254A 28 -48,-0.6 -46,-1.6 -2,-0.3 2,-0.3 -0.629 26.4-179.1 -92.2 139.7 -3.9 24.2 115.7 261 114 B F E -eG 214 253A 1 -8,-3.2 -8,-2.1 -2,-0.3 2,-0.4 -0.883 11.0-152.6-131.9 163.7 -1.7 27.0 116.9 262 115 B E E -eG 215 252A 1 -48,-2.1 -46,-3.5 -2,-0.3 2,-0.6 -0.999 11.3-152.6-140.8 133.4 0.8 27.6 119.7 263 116 B F E -eG 216 251A 0 -12,-2.2 -12,-1.4 -2,-0.4 2,-0.3 -0.950 32.3-174.9 -98.0 119.2 2.0 30.6 121.6 264 117 B H E -eG 217 250A 1 -48,-3.0 -46,-2.6 -2,-0.6 -14,-0.2 -0.911 28.9-161.5-124.4 146.4 5.6 29.6 122.7 265 118 B T + 0 0 17 -16,-1.9 2,-0.2 -2,-0.3 -45,-0.2 0.267 68.4 70.3-109.7 9.0 8.1 31.4 124.9 266 119 B G - 0 0 1 -17,-0.2 2,-0.3 -19,-0.1 -48,-0.1 -0.579 67.4-128.7-117.8-179.9 11.3 29.6 123.8 267 120 B T > - 0 0 55 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.820 30.6-109.7-121.4 166.2 13.6 29.3 120.8 268 121 B L H > S+ 0 0 18 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.915 122.6 54.3 -56.9 -44.2 14.9 26.3 118.9 269 122 B Q H > S+ 0 0 116 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.885 104.3 54.0 -59.8 -41.3 18.3 27.1 120.4 270 123 B N H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.898 113.9 43.4 -52.8 -43.0 16.7 27.0 123.9 271 124 B R H X S+ 0 0 14 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.886 110.5 52.4 -75.2 -43.7 15.4 23.5 122.9 272 125 B L H X S+ 0 0 28 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.914 111.0 49.4 -57.5 -44.1 18.6 22.2 121.3 273 126 B E H X S+ 0 0 107 -4,-2.3 4,-4.2 2,-0.3 5,-0.3 0.902 107.0 53.1 -64.1 -43.5 20.5 23.2 124.4 274 127 B Y H X S+ 0 0 33 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.866 114.7 44.0 -58.9 -35.1 18.0 21.5 126.7 275 128 B Y H X S+ 0 0 60 -4,-1.9 4,-1.3 2,-0.2 -2,-0.3 0.884 115.9 46.7 -73.9 -40.4 18.6 18.4 124.5 276 129 B K H X S+ 0 0 123 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.899 107.6 55.4 -68.5 -42.5 22.4 19.0 124.5 277 130 B E H X S+ 0 0 80 -4,-4.2 4,-2.2 1,-0.2 -1,-0.2 0.844 104.5 56.2 -59.1 -34.3 22.6 19.5 128.3 278 131 B D H X S+ 0 0 57 -4,-0.9 4,-1.1 -5,-0.3 -1,-0.2 0.900 108.4 46.5 -62.5 -42.1 20.9 16.1 128.6 279 132 B K H >< S+ 0 0 170 -4,-1.3 3,-0.6 2,-0.2 -2,-0.2 0.932 110.7 51.6 -65.5 -47.0 23.7 14.6 126.6 280 133 B K H 3< S+ 0 0 164 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.891 107.4 54.6 -54.6 -42.6 26.4 16.4 128.6 281 134 B H H 3< 0 0 144 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.823 360.0 360.0 -59.5 -34.3 24.8 15.1 131.8 282 135 B X << 0 0 204 -4,-1.1 -3,-0.1 -3,-0.6 -4,-0.0 0.162 360.0 360.0-109.4 360.0 25.0 11.5 130.5