==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAR-13 4JH5 . COMPND 2 MOLECULE: METALLOTHIOL TRANSFERASE FOSB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR M.K.THOMPSON,J.HARP,M.E.KEITHLY,K.JAGESSAR,P.D.COOK,R.N.ARMS . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 22.5 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 . 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 . 11 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 18.5 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 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 4 0 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 0 2 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 1 A M 0 0 65 0, 0.0 210,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -13.8 50.1 59.6 -14.1 2 2 A L - 0 0 8 208,-0.1 208,-0.2 1,-0.1 3,-0.1 -0.753 360.0-169.7 -91.3 136.6 51.1 57.6 -10.9 3 3 A N - 0 0 96 206,-2.9 207,-0.1 -2,-0.4 -1,-0.1 -0.362 49.0 -72.5-123.1 50.7 48.2 55.5 -9.5 4 4 A G S S- 0 0 17 205,-0.1 205,-2.5 204,-0.1 2,-0.5 -0.245 76.0 -36.4 92.5 176.2 49.4 54.4 -6.1 5 5 A I E -A 208 0A 36 203,-0.2 203,-0.3 1,-0.2 3,-0.1 -0.679 46.2-173.3 -80.8 125.4 51.9 51.8 -4.9 6 6 A N E - 0 0 20 201,-2.5 40,-0.6 -2,-0.5 2,-0.3 0.890 63.2 -29.0 -83.0 -44.8 52.0 48.8 -7.1 7 7 A H E -Ab 207 46A 9 200,-1.2 200,-2.7 38,-0.1 2,-0.4 -0.975 48.6-129.3-162.7 162.0 54.4 46.6 -5.0 8 8 A L E -Ab 206 47A 1 38,-2.3 40,-3.0 -2,-0.3 2,-0.4 -0.966 24.4-163.4-112.9 142.6 57.2 46.7 -2.5 9 9 A C E -Ab 205 48A 2 196,-3.0 196,-2.0 -2,-0.4 2,-0.5 -0.972 2.4-165.3-131.9 135.6 60.3 44.6 -3.2 10 10 A F E - b 0 49A 9 38,-2.6 40,-2.5 -2,-0.4 2,-0.5 -0.986 15.8-139.9-123.1 129.6 63.0 43.7 -0.7 11 11 A S E - b 0 50A 0 -2,-0.5 2,-0.3 38,-0.2 40,-0.2 -0.705 30.2-169.3 -81.8 127.2 66.4 42.3 -1.4 12 12 A V E - b 0 51A 0 38,-2.3 40,-2.6 -2,-0.5 3,-0.2 -0.909 29.6-144.2-126.4 149.7 67.1 39.6 1.2 13 13 A S S S+ 0 0 40 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.771 95.7 25.1 -82.6 -26.9 70.3 37.7 2.1 14 14 A N > - 0 0 59 1,-0.1 4,-2.2 37,-0.0 -1,-0.3 -0.921 65.9-160.0-140.5 109.6 68.5 34.4 2.9 15 15 A L H > S+ 0 0 5 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.911 92.2 49.2 -59.0 -45.2 65.1 33.7 1.4 16 16 A E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 112.0 47.0 -64.0 -42.1 64.0 31.1 3.9 17 17 A D H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 115.3 47.7 -62.1 -43.0 64.9 33.3 7.0 18 18 A S H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.890 106.4 55.3 -73.3 -35.3 63.1 36.3 5.4 19 19 A I H X S+ 0 0 5 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.959 108.0 52.0 -60.8 -43.9 59.9 34.3 4.4 20 20 A E H X S+ 0 0 85 -4,-2.0 4,-2.7 -5,-0.2 5,-0.4 0.945 112.5 44.3 -56.2 -44.3 59.7 33.3 8.1 21 21 A F H X>S+ 0 0 19 -4,-1.7 4,-2.5 1,-0.2 5,-1.1 0.918 112.8 48.5 -66.4 -47.6 59.9 37.0 9.2 22 22 A Y H <5S+ 0 0 0 -4,-2.8 6,-2.7 3,-0.2 4,-0.2 0.851 117.3 44.8 -68.0 -30.5 57.5 38.4 6.6 23 23 A E H <5S+ 0 0 74 -4,-2.5 4,-0.3 -5,-0.3 -2,-0.2 0.914 123.8 31.0 -67.8 -50.3 54.9 35.6 7.6 24 24 A K H <5S+ 0 0 97 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.850 129.8 31.3 -88.5 -36.6 55.2 35.8 11.3 25 25 A V T <5S+ 0 0 2 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.884 128.9 32.6 -88.7 -43.2 56.1 39.4 12.0 26 26 A L S S- E 0 45A 1 3,-2.6 3,-2.3 -2,-0.6 -14,-0.1 -0.971 71.0 -32.7-121.5 119.7 50.7 42.0 3.3 43 43 A C T 3 S- 0 0 36 -2,-0.5 101,-0.2 -16,-0.3 -1,-0.1 0.846 126.5 -44.0 31.1 54.4 47.7 44.0 4.3 44 44 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 99,-0.1 -1,-0.3 0.478 116.7 110.9 84.5 -1.9 46.4 44.3 0.7 45 45 A V E < S- E 0 42A 21 -3,-2.3 -3,-2.6 -38,-0.0 2,-0.5 -0.885 70.7-121.5-108.7 138.8 49.9 45.2 -0.8 46 46 A W E -bE 7 41A 12 -40,-0.6 -38,-2.3 -2,-0.4 2,-0.5 -0.693 34.6-174.6 -72.5 120.1 52.0 43.0 -3.1 47 47 A V E -bE 8 40A 1 -7,-2.6 -7,-3.3 -2,-0.5 2,-0.4 -0.988 2.3-167.2-118.9 133.0 55.3 42.5 -1.3 48 48 A A E -bE 9 39A 3 -40,-3.0 -38,-2.6 -2,-0.5 2,-0.4 -0.893 9.1-157.3-118.7 146.4 58.1 40.6 -3.1 49 49 A L E -bE 10 38A 0 -11,-2.9 -11,-1.7 -2,-0.4 2,-0.4 -0.940 7.9-171.1-115.2 140.4 61.4 39.2 -1.7 50 50 A N E -bE 11 37A 42 -40,-2.5 -38,-2.3 -2,-0.4 2,-0.4 -0.989 21.8-131.0-131.8 125.6 64.4 38.6 -4.0 51 51 A E E +b 12 0A 35 -15,-3.1 2,-0.4 -2,-0.4 -38,-0.2 -0.598 29.2 171.1 -84.9 128.4 67.4 36.8 -2.6 52 52 A E - 0 0 56 -40,-2.6 3,-0.4 -2,-0.4 -2,-0.1 -0.947 11.3-171.2-133.4 106.3 70.8 38.5 -3.3 53 53 A I + 0 0 83 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.885 67.0 36.3 -78.3 -37.1 73.4 36.6 -1.3 54 54 A H S S+ 0 0 174 2,-0.1 -1,-0.2 0, 0.0 -41,-0.0 -0.636 79.9 112.9-124.1 67.4 76.8 38.6 -1.4 55 55 A I S S- 0 0 35 -2,-0.5 2,-0.2 -3,-0.4 -3,-0.1 -0.963 72.8 -96.9-129.2 158.7 76.0 42.3 -1.3 56 56 A P + 0 0 40 0, 0.0 145,-0.1 0, 0.0 -2,-0.1 -0.542 35.3 179.3 -82.9 134.4 77.0 44.6 1.6 57 57 A R + 0 0 35 -2,-0.2 4,-0.1 1,-0.1 -44,-0.0 -0.363 51.0 96.2-130.4 55.6 74.2 45.3 4.1 58 58 A N S > S+ 0 0 102 2,-0.1 3,-1.1 3,-0.0 4,-0.2 0.805 73.6 53.7-107.3 -49.8 75.9 47.5 6.7 59 59 A E G >> S+ 0 0 32 1,-0.2 3,-2.2 2,-0.2 4,-0.5 0.770 90.1 78.0 -68.7 -22.5 75.2 51.2 5.8 60 60 A I G >4 S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.841 85.0 63.9 -53.6 -34.8 71.4 50.6 5.7 61 61 A Y G <4 S+ 0 0 99 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.730 98.7 55.1 -63.1 -20.8 71.4 50.7 9.6 62 62 A Q G <4 S+ 0 0 105 -3,-2.2 2,-0.4 -4,-0.2 -1,-0.2 0.530 92.5 85.6 -91.6 -5.2 72.5 54.3 9.5 63 63 A S << - 0 0 19 -3,-1.3 50,-0.1 -4,-0.5 133,-0.0 -0.788 66.8-148.6 -98.9 141.9 69.7 55.5 7.3 64 64 A Y + 0 0 48 -2,-0.4 -1,-0.1 125,-0.1 84,-0.0 0.546 55.2 130.4 -81.9 -6.3 66.3 56.6 8.8 65 65 A T + 0 0 35 -5,-0.1 48,-0.4 124,-0.1 2,-0.3 -0.191 32.7 150.5 -45.3 133.5 64.5 55.4 5.6 66 66 A H E -I 148 0B 8 82,-1.9 82,-2.7 46,-0.1 2,-0.4 -0.983 44.4-124.3-159.8 169.8 61.5 53.2 6.6 67 67 A I E -Ij 147 114B 15 46,-1.8 48,-1.9 -2,-0.3 2,-0.4 -0.986 25.8-153.6-121.0 129.9 58.0 52.0 5.7 68 68 A A E -Ij 146 115B 0 78,-2.9 77,-2.8 -2,-0.4 78,-1.4 -0.887 2.5-157.4-108.4 135.3 55.2 52.5 8.2 69 69 A F E -Ij 144 116B 2 46,-2.9 48,-2.7 -2,-0.4 2,-0.4 -0.832 27.0-111.4-103.6 148.4 52.0 50.3 8.5 70 70 A S E + j 0 117B 29 73,-2.7 72,-2.8 -2,-0.3 2,-0.3 -0.636 43.3 166.6 -80.7 130.7 48.9 51.5 10.1 71 71 A V - 0 0 4 46,-2.1 2,-0.3 -2,-0.4 70,-0.1 -0.987 33.8-116.9-137.7 149.8 48.0 49.7 13.4 72 72 A E > - 0 0 99 68,-0.4 3,-2.5 -2,-0.3 4,-0.4 -0.669 25.4-117.7 -91.3 151.6 45.5 50.7 16.0 73 73 A Q G > S+ 0 0 93 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.809 111.1 62.9 -52.3 -37.3 46.6 51.6 19.5 74 74 A K G 3 S+ 0 0 148 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.731 100.1 56.6 -67.4 -16.0 44.7 48.7 21.1 75 75 A D G <> S+ 0 0 30 -3,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.563 79.7 91.8 -92.3 -4.0 46.9 46.2 19.1 76 76 A F H <> S+ 0 0 10 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.881 82.1 53.2 -56.9 -44.8 50.3 47.6 20.4 77 77 A E H > S+ 0 0 151 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.939 113.0 42.4 -54.8 -50.7 50.5 45.1 23.4 78 78 A S H > S+ 0 0 45 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.829 112.6 54.0 -70.2 -31.5 50.0 42.1 21.2 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 107.3 50.6 -69.2 -38.9 52.3 43.4 18.5 80 80 A L H X S+ 0 0 78 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.905 110.3 50.9 -61.7 -36.6 55.2 43.9 21.0 81 81 A Q H X S+ 0 0 93 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.940 109.3 50.4 -66.4 -38.9 54.6 40.4 22.2 82 82 A R H X S+ 0 0 49 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.902 111.1 48.7 -60.4 -42.1 54.8 39.1 18.6 83 83 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.3 0.914 113.5 46.3 -65.7 -43.4 58.1 41.0 18.0 84 84 A E H ><5S+ 0 0 145 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.918 109.0 54.4 -68.0 -41.0 59.6 39.7 21.2 85 85 A E H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 110.4 46.5 -63.6 -23.4 58.6 36.1 20.6 86 86 A N T 3<5S- 0 0 55 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.162 113.7-118.2-104.3 16.2 60.2 36.2 17.1 87 87 A D T < 5 + 0 0 154 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.801 49.7 176.6 58.9 34.3 63.4 37.8 18.6 88 88 A V < - 0 0 18 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.2 -0.453 36.5-116.4 -72.7 141.8 63.0 40.9 16.4 89 89 A H E -K 107 0B 113 18,-0.5 18,-2.1 -2,-0.1 2,-0.5 -0.740 34.1-164.0 -78.0 109.0 65.5 43.8 16.8 90 90 A I E -K 106 0B 65 -2,-0.8 16,-0.3 16,-0.2 2,-0.2 -0.869 11.7-136.9 -97.5 130.2 63.3 46.6 18.0 91 91 A L - 0 0 41 14,-2.3 14,-0.5 -2,-0.5 2,-0.5 -0.499 18.0-111.8 -89.0 154.2 64.9 50.1 17.7 92 92 A K - 0 0 189 -2,-0.2 3,-0.1 12,-0.1 -1,-0.1 -0.720 47.2-137.0 -77.9 127.5 64.8 52.8 20.4 93 93 A G - 0 0 35 -2,-0.5 3,-0.1 1,-0.2 2,-0.1 -0.238 21.2 -84.9 -75.5 179.1 62.6 55.3 18.6 94 94 A R - 0 0 84 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.340 61.1 -80.2 -63.1 159.5 63.1 59.1 18.4 95 95 A E - 0 0 161 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.487 57.6-156.6 -59.4 138.9 61.8 61.2 21.2 96 96 A R - 0 0 71 -2,-0.1 2,-0.2 -3,-0.1 6,-0.0 -0.966 16.5-139.7-125.7 143.9 58.0 61.7 20.8 97 97 A D > - 0 0 69 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.615 36.9-110.7 -81.3 154.2 55.4 64.2 21.8 98 98 A V G > S+ 0 0 133 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.892 120.1 58.9 -50.8 -37.2 52.0 62.8 22.9 99 99 A R G 3 S+ 0 0 78 1,-0.3 -1,-0.3 28,-0.0 28,-0.2 0.551 87.7 73.9 -78.2 -7.4 50.6 64.4 19.7 100 100 A D G < S- 0 0 6 -3,-1.9 -1,-0.3 1,-0.1 19,-0.2 0.570 101.0-135.8 -67.8 -14.7 53.1 62.3 17.4 101 101 A C < - 0 0 30 -3,-1.5 2,-0.2 -4,-0.4 -1,-0.1 -0.026 34.9 -57.4 69.1 173.2 50.8 59.3 18.2 102 102 A E + 0 0 104 -3,-0.1 16,-2.4 -6,-0.0 2,-0.3 -0.642 56.2 173.5 -99.8 148.0 52.4 56.0 19.1 103 103 A S E - L 0 117B 23 -2,-0.2 2,-0.4 14,-0.2 14,-0.2 -0.993 23.2-154.9-145.0 154.4 54.9 53.9 17.1 104 104 A I E - L 0 116B 14 12,-1.8 12,-2.4 -2,-0.3 2,-0.4 -0.998 18.0-162.2-120.7 132.7 57.2 50.9 17.2 105 105 A Y E + L 0 115B 16 -14,-0.5 -14,-2.3 -2,-0.4 2,-0.3 -0.917 21.2 150.2-114.3 142.2 60.2 50.8 15.0 106 106 A F E -KL 90 114B 0 8,-2.5 8,-2.9 -2,-0.4 2,-0.3 -0.941 32.0-120.9-159.2 171.9 62.1 47.6 14.1 107 107 A V E -KL 89 113B 5 -18,-2.1 -18,-0.5 -2,-0.3 6,-0.2 -0.913 14.9-126.0-125.9 155.0 64.2 46.0 11.4 108 108 A D > - 0 0 4 4,-2.4 3,-1.8 -2,-0.3 -90,-0.1 -0.283 52.1 -84.6 -78.0 178.7 64.0 42.9 9.2 109 109 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -91,-0.0 0.703 129.9 47.5 -65.7 -16.3 67.0 40.5 9.1 110 110 A D T 3 S- 0 0 7 2,-0.1 -50,-0.1 -99,-0.0 3,-0.1 0.225 124.4 -94.9-108.5 14.5 68.7 42.6 6.4 111 111 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.3 -5,-0.0 0.413 70.2 150.5 92.8 1.7 68.3 46.0 8.0 112 112 A H - 0 0 12 1,-0.1 -4,-2.4 -5,-0.0 2,-0.4 -0.537 41.9-136.2 -63.9 126.5 65.0 47.1 6.3 113 113 A K E - L 0 107B 29 -48,-0.4 -46,-1.8 -2,-0.3 2,-0.3 -0.692 25.9-179.9 -93.8 136.0 63.3 49.4 8.8 114 114 A F E -jL 67 106B 1 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.4 -0.899 9.4-160.1-127.2 160.0 59.6 49.2 9.5 115 115 A E E -jL 68 105B 0 -48,-1.9 -46,-2.9 -2,-0.3 2,-0.5 -0.998 13.5-150.3-139.0 142.2 57.3 51.1 11.8 116 116 A F E -jL 69 104B 0 -12,-2.4 -12,-1.8 -2,-0.4 2,-0.4 -0.971 30.1-174.2-105.8 121.6 53.8 50.3 13.2 117 117 A H E -jL 70 103B 1 -48,-2.7 -46,-2.1 -2,-0.5 -14,-0.2 -0.971 25.6-162.1-125.8 141.2 52.1 53.7 13.7 118 118 A S + 0 0 37 -16,-2.4 -45,-0.3 -2,-0.4 2,-0.1 0.399 67.6 72.7-100.8 2.9 48.8 54.5 15.3 119 119 A G - 0 0 3 -17,-0.3 2,-0.3 -19,-0.2 -48,-0.1 -0.400 68.9-126.5-112.2-175.6 48.2 58.0 13.9 120 120 A T > - 0 0 67 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.831 31.2-104.5-124.9 167.7 47.3 59.6 10.5 121 121 A L H > S+ 0 0 30 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.920 122.5 56.2 -52.7 -46.2 48.8 62.2 8.2 122 122 A Q H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 102.8 52.4 -53.3 -48.0 45.9 64.5 9.5 123 123 A D H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 113.7 44.8 -49.9 -52.3 46.9 64.1 13.1 124 124 A R H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.922 112.0 49.2 -67.3 -43.3 50.5 65.1 12.2 125 125 A L H X S+ 0 0 5 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.894 112.5 50.9 -60.2 -41.7 49.5 68.1 10.1 126 126 A N H X S+ 0 0 61 -4,-2.9 4,-1.7 -5,-0.2 5,-0.2 0.939 112.5 46.3 -60.7 -48.2 47.1 69.2 12.9 127 127 A Y H X S+ 0 0 13 -4,-2.4 4,-2.6 -28,-0.2 5,-0.3 0.944 116.3 43.1 -55.1 -54.0 49.9 68.9 15.4 128 128 A Y H X S+ 0 0 15 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.883 113.0 51.3 -64.0 -41.2 52.6 70.7 13.3 129 129 A R H < S+ 0 0 125 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.870 119.4 36.2 -66.0 -37.0 50.3 73.5 12.1 130 130 A E H < S+ 0 0 124 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.867 132.9 19.2 -84.5 -39.5 49.2 74.4 15.6 131 131 A D H < S+ 0 0 88 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.591 93.6 90.7-114.9 -12.7 52.4 73.8 17.6 132 132 A K < - 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0 0 13 1,-0.1 -4,-2.3 -46,-0.0 2,-0.4 -0.570 43.0-136.7 -70.2 128.0 66.4 54.9 -3.3 252 113 B K E - H 0 246A 23 -48,-0.5 -46,-1.7 -2,-0.4 2,-0.3 -0.687 25.1-179.7 -94.7 135.3 65.2 52.8 -6.1 253 114 B F E -fH 206 245A 1 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.3 -0.868 9.7-158.6-127.4 161.9 61.8 53.2 -7.7 254 115 B E E -fH 207 244A 0 -48,-1.8 -46,-2.7 -2,-0.3 2,-0.5 -0.995 13.3-149.8-140.4 137.2 59.8 51.5 -10.5 255 116 B F E -fH 208 243A 0 -12,-2.3 -12,-1.7 -2,-0.3 2,-0.4 -0.979 30.8-174.6-100.3 122.4 56.9 52.6 -12.7 256 117 B H E -fH 209 242A 1 -48,-3.2 -46,-2.3 -2,-0.5 -14,-0.2 -0.973 25.9-165.1-126.4 135.6 55.2 49.3 -13.5 257 118 B S + 0 0 34 -16,-2.7 -45,-0.3 -2,-0.4 2,-0.1 0.318 67.0 74.4-100.0 4.8 52.2 48.8 -15.9 258 119 B G - 0 0 2 -17,-0.3 2,-0.3 -19,-0.2 -48,-0.1 -0.434 68.6-130.5-108.6-178.0 51.1 45.3 -14.7 259 120 B T > - 0 0 66 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.849 29.3-103.5-125.9 170.2 49.3 43.9 -11.7 260 121 B L H > S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.910 123.0 53.4 -57.6 -45.6 49.9 41.1 -9.2 261 122 B Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 105.8 53.1 -61.8 -39.8 47.3 39.1 -11.0 262 123 B D H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 111.9 46.2 -54.7 -45.8 49.1 39.5 -14.3 263 124 B R H X S+ 0 0 13 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.931 113.0 47.6 -71.5 -38.2 52.3 38.2 -12.7 264 125 B L H X S+ 0 0 31 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.906 109.9 52.9 -67.6 -39.8 50.6 35.3 -11.0 265 126 B N H X S+ 0 0 45 -4,-2.7 4,-1.3 -5,-0.2 5,-0.2 0.932 113.3 46.3 -57.6 -47.1 48.8 34.3 -14.3 266 127 B Y H X S+ 0 0 16 -4,-2.4 4,-3.1 -5,-0.2 3,-0.3 0.963 118.7 38.9 -56.1 -54.8 52.2 34.4 -16.0 267 128 B Y H X S+ 0 0 14 -4,-3.0 4,-2.3 1,-0.2 7,-0.2 0.880 110.1 57.3 -70.1 -36.9 54.1 32.4 -13.2 268 129 B R H < S+ 0 0 145 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 120.9 32.1 -71.5 -23.6 51.3 29.9 -12.5 269 130 B E H < S+ 0 0 113 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.840 130.4 29.6 -88.7 -45.8 51.4 28.9 -16.2 270 131 B D H < S+ 0 0 84 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.501 116.2 52.7-102.3 -5.8 55.1 29.4 -17.3 271 132 B K >< + 0 0 60 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 -0.546 55.6 161.6-128.0 63.7 57.1 28.7 -14.0 272 133 B P T 3 + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.642 67.0 72.9 -63.1 -12.1 55.8 25.3 -12.9 273 134 B H T 3 S+ 0 0 90 -3,-0.1 2,-0.1 2,-0.1 -2,-0.0 0.653 83.6 86.4 -69.6 -13.6 58.9 24.9 -10.7 274 135 B M S < S- 0 0 18 -3,-2.1 2,-0.5 -7,-0.2 -240,-0.2 -0.401 80.8-122.8 -88.5 160.8 57.5 27.4 -8.3 275 136 B T E -D 33 0A 70 -242,-2.6 -242,-2.3 -2,-0.1 2,-0.4 -0.943 23.4-156.7-105.9 128.5 55.1 26.6 -5.4 276 137 B F E D 32 0A 74 -2,-0.5 -244,-0.2 -244,-0.2 -245,-0.1 -0.862 360.0 360.0-109.4 141.4 51.7 28.4 -5.4 277 138 B Y 0 0 151 -246,-2.3 -246,-0.2 -2,-0.4 -1,-0.1 0.265 360.0 360.0-135.8 360.0 49.5 28.9 -2.3