==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-AUG-11 3TBH . COMPND 2 MOLECULE: O-ACETYL SERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR I.RAJ,S.GOURINATH . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 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 . 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 0 0 1 2 0 0 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 4 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 . 2 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 96 0, 0.0 3,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -2.4 9.1 -9.6 -18.5 2 3 A A - 0 0 82 1,-0.1 162,-0.0 0, 0.0 0, 0.0 -0.548 360.0 -79.4 -61.7 139.4 8.3 -9.5 -22.2 3 4 A P - 0 0 129 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.303 60.1-163.6 -44.7 121.4 6.3 -6.2 -22.4 4 5 A F - 0 0 45 12,-0.1 2,-1.2 -3,-0.1 7,-0.0 -0.971 19.8-127.5-120.4 128.1 2.7 -7.4 -21.0 5 6 A D > + 0 0 66 -2,-0.5 4,-1.2 1,-0.2 0, 0.0 -0.611 37.1 167.2 -88.9 96.3 -0.1 -5.2 -21.7 6 7 A K T 4 S+ 0 0 74 -2,-1.2 -1,-0.2 2,-0.2 5,-0.1 0.782 72.2 50.6 -84.6 -39.5 -1.7 -4.7 -18.3 7 8 A S T 4 S+ 0 0 122 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.756 125.2 34.1 -73.4 -19.3 -4.2 -1.9 -18.8 8 9 A K T 4 S+ 0 0 151 -4,-0.0 -2,-0.2 2,-0.0 2,-0.2 0.533 115.3 43.9-110.9 -6.5 -5.4 -3.9 -21.7 9 10 A N S < S- 0 0 81 -4,-1.2 2,-0.5 -3,-0.1 -5,-0.0 -0.759 76.4-107.3-131.2 172.8 -5.2 -7.8 -21.0 10 11 A V - 0 0 131 -2,-0.2 2,-0.1 -3,-0.0 -3,-0.1 -0.922 34.5-132.4-108.1 117.5 -6.0 -10.3 -17.9 11 12 A A - 0 0 31 -2,-0.5 3,-0.1 -5,-0.1 6,-0.0 -0.402 5.1-148.3 -63.4 149.4 -3.0 -11.7 -16.1 12 13 A Q S S+ 0 0 179 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.806 85.0 13.2 -87.3 -24.6 -2.7 -15.4 -15.3 13 14 A S S > S- 0 0 44 1,-0.1 3,-1.9 -3,-0.0 -1,-0.2 -0.988 74.8-116.5-153.7 153.1 -0.8 -14.6 -12.1 14 15 A I G > S+ 0 0 70 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.790 107.7 72.7 -64.4 -19.6 -0.0 -11.6 -9.9 15 16 A D G > S+ 0 0 23 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.769 86.1 65.8 -67.9 -18.3 3.6 -11.9 -10.6 16 17 A Q G < S+ 0 0 66 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.659 93.2 62.6 -69.6 -9.9 2.9 -10.6 -14.2 17 18 A L G < S+ 0 0 65 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.531 80.6 107.8 -95.9 1.5 1.9 -7.3 -12.5 18 19 A I S < S- 0 0 23 -3,-1.3 31,-0.1 -4,-0.3 26,-0.0 -0.430 80.4 -3.2 -76.7 146.5 5.5 -6.8 -11.2 19 20 A G S S+ 0 0 3 22,-0.1 145,-0.0 -2,-0.1 146,-0.0 -0.240 80.7 103.7 65.7-161.4 7.5 -4.0 -12.8 20 21 A Q + 0 0 67 1,-0.1 -1,-0.1 -19,-0.1 -14,-0.1 0.946 62.6 170.5 45.2 52.0 6.3 -2.0 -15.8 21 22 A T - 0 0 3 1,-0.1 -1,-0.1 144,-0.0 20,-0.1 -0.435 32.7 -98.5 -91.7 160.9 5.7 0.7 -13.2 22 23 A P - 0 0 65 0, 0.0 18,-2.6 0, 0.0 2,-0.4 -0.251 24.6-140.8 -74.9 167.0 4.8 4.4 -14.0 23 24 A A E -A 39 0A 38 16,-0.2 2,-0.4 149,-0.1 16,-0.2 -0.984 18.6-169.5-128.0 143.1 7.1 7.3 -14.2 24 25 A L E -A 38 0A 61 14,-2.1 14,-3.4 -2,-0.4 2,-0.3 -0.993 20.9-124.8-141.6 133.0 6.1 10.8 -12.8 25 26 A Y E -A 37 0A 122 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.576 29.2-120.4 -76.6 141.3 7.6 14.2 -13.1 26 27 A L + 0 0 6 10,-3.0 10,-0.4 -2,-0.3 -1,-0.1 -0.603 44.2 168.9 -75.0 136.0 8.3 15.9 -9.8 27 28 A N > + 0 0 105 -2,-0.3 3,-1.2 8,-0.1 -1,-0.2 0.688 58.4 22.8-120.2 -89.6 6.2 19.2 -10.0 28 29 A K T 3 S+ 0 0 150 237,-0.4 238,-0.1 1,-0.3 -2,-0.1 0.877 122.8 53.0 -57.7 -37.8 5.5 21.4 -7.1 29 30 A L T 3 S+ 0 0 32 1,-0.1 2,-1.0 233,-0.1 -1,-0.3 0.734 92.9 83.9 -73.1 -18.7 8.5 20.3 -5.2 30 31 A N < + 0 0 25 -3,-1.2 -1,-0.1 1,-0.2 6,-0.1 -0.758 43.8 162.7 -90.0 100.7 10.8 21.0 -8.2 31 32 A N + 0 0 155 -2,-1.0 -1,-0.2 251,-0.0 2,-0.1 0.287 48.5 93.8 -96.7 14.4 11.8 24.7 -8.2 32 33 A T S S- 0 0 31 2,-0.2 254,-0.1 1,-0.1 253,-0.1 -0.247 83.4-113.0-102.2-179.6 14.8 24.2 -10.5 33 34 A K S S+ 0 0 149 252,-0.4 259,-2.4 -2,-0.1 2,-0.2 0.420 90.4 86.1 -94.7 8.2 15.4 24.4 -14.2 34 35 A A S S- 0 0 5 251,-0.2 2,-0.4 257,-0.2 260,-0.2 -0.619 80.5-118.3-103.6 160.8 16.0 20.7 -14.6 35 36 A K E - b 0 294A 100 258,-3.5 260,-2.9 255,-0.2 2,-0.5 -0.835 24.7-159.8 -95.1 140.7 13.4 18.0 -15.1 36 37 A V E - b 0 295A 1 -2,-0.4 -10,-3.0 -10,-0.4 2,-0.5 -0.980 4.5-165.1-126.7 122.3 13.1 15.3 -12.4 37 38 A V E -Ab 25 296A 10 258,-3.1 260,-3.0 -2,-0.5 2,-0.6 -0.894 6.7-151.4-108.3 131.2 11.5 12.0 -13.2 38 39 A L E -Ab 24 297A 0 -14,-3.4 -14,-2.1 -2,-0.5 2,-0.8 -0.863 6.9-147.4-105.1 124.7 10.4 9.6 -10.5 39 40 A K E -Ab 23 298A 0 258,-2.7 260,-3.0 -2,-0.6 2,-1.9 -0.766 21.6-140.1 -89.4 116.3 10.4 5.9 -11.3 40 41 A M E > + b 0 299A 20 -18,-2.6 3,-2.0 -2,-0.8 4,-0.1 -0.488 41.1 156.4 -88.2 66.5 7.4 4.8 -9.1 41 42 A E G > + 0 0 0 -2,-1.9 3,-1.5 258,-0.7 -1,-0.2 0.693 65.9 78.5 -69.4 -10.7 8.6 1.4 -7.8 42 43 A C G 3 S+ 0 0 5 257,-1.0 -1,-0.3 259,-0.3 260,-0.3 0.676 82.3 68.1 -63.6 -15.0 6.1 2.0 -4.9 43 44 A E G < S+ 0 0 102 -3,-2.0 -1,-0.2 -21,-0.1 -2,-0.2 0.526 71.1 116.8 -91.6 3.6 3.5 0.9 -7.4 44 45 A N S X S- 0 0 7 -3,-1.5 3,-2.2 2,-0.1 -26,-0.1 -0.064 85.4 -96.9 -59.5 157.7 4.6 -2.7 -7.6 45 46 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.862 126.5 35.9 -54.7 -36.8 2.0 -5.3 -6.4 46 47 A M T 3 S- 0 0 28 2,-0.3 -2,-0.1 35,-0.0 4,-0.1 0.088 121.9-105.6-110.8 33.9 3.5 -5.6 -2.9 47 48 A A S < S+ 0 0 20 -3,-2.2 255,-2.1 1,-0.1 2,-0.3 0.618 84.1 71.5 69.7 20.4 4.5 -1.9 -2.8 48 49 A S B > S-F 301 0B 0 253,-0.2 3,-1.9 33,-0.1 -2,-0.3 -0.991 83.9-105.8-158.1 168.4 8.2 -1.8 -3.4 49 50 A V T >> S+ 0 0 1 251,-2.4 3,-1.8 -2,-0.3 4,-0.8 0.666 105.4 78.8 -56.9 -27.8 11.1 -2.4 -5.8 50 51 A X H 3> S+ 0 0 8 1,-0.3 4,-3.0 250,-0.2 -1,-0.3 0.682 73.9 77.8 -66.8 -9.8 11.9 -5.7 -4.1 51 52 A D H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.877 93.1 52.2 -60.1 -33.8 9.1 -7.3 -6.0 52 53 A R H <> S+ 0 0 3 -3,-1.8 4,-2.3 -4,-0.2 -1,-0.2 0.902 110.9 45.7 -67.3 -47.2 11.4 -7.3 -9.0 53 54 A L H X S+ 0 0 3 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.936 112.5 51.7 -60.0 -44.4 14.2 -9.0 -7.0 54 55 A G H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.941 112.1 44.9 -56.0 -49.8 11.8 -11.5 -5.6 55 56 A F H X S+ 0 0 30 -4,-2.4 4,-3.5 -5,-0.2 5,-0.4 0.925 111.6 52.4 -62.7 -43.9 10.4 -12.5 -8.9 56 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.5 0.904 110.0 50.3 -61.8 -39.9 13.9 -12.7 -10.5 57 58 A I H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 5,-0.4 0.986 117.5 37.9 -63.5 -50.7 15.0 -15.1 -7.7 58 59 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.926 122.3 42.6 -64.6 -51.1 12.0 -17.5 -8.0 59 60 A D H X S+ 0 0 29 -4,-3.5 4,-2.3 -5,-0.2 -3,-0.2 0.961 121.5 37.3 -64.1 -50.3 11.8 -17.3 -11.8 60 61 A K H X S+ 0 0 31 -4,-2.2 4,-1.8 -5,-0.4 6,-0.2 0.871 117.2 49.6 -73.5 -37.4 15.5 -17.5 -12.7 61 62 A A H <>S+ 0 0 6 -4,-2.4 5,-1.8 -5,-0.5 6,-1.2 0.895 112.6 49.7 -74.8 -32.9 16.5 -20.0 -9.9 62 63 A E H ><5S+ 0 0 51 -4,-2.1 3,-1.6 -5,-0.4 -2,-0.2 0.941 110.4 49.4 -66.6 -43.5 13.6 -22.3 -10.9 63 64 A K H 3<5S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 109.4 52.0 -67.0 -33.4 14.6 -22.2 -14.6 64 65 A E T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.530 117.2-113.6 -75.0 -8.7 18.2 -23.0 -13.7 65 66 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.435 88.2 112.0 88.3 2.6 17.0 -26.0 -11.7 66 67 A K S > - 0 0 80 -2,-0.5 4,-2.7 26,-0.0 3,-2.0 -0.993 28.6-122.8-123.8 115.5 12.2 -27.0 -6.9 69 70 A P T 34 S+ 0 0 65 0, 0.0 26,-0.2 0, 0.0 25,-0.1 -0.303 96.4 20.6 -64.0 143.5 8.7 -26.1 -5.6 70 71 A G T 34 S+ 0 0 76 24,-2.8 25,-0.1 2,-0.3 24,-0.1 0.340 130.4 48.7 86.4 -11.2 7.5 -28.2 -2.7 71 72 A K T <4 S+ 0 0 111 -3,-2.0 -1,-0.1 23,-0.2 2,-0.1 0.647 88.8 75.3-124.4 -54.5 11.1 -29.1 -1.9 72 73 A S < - 0 0 8 -4,-2.7 24,-0.8 74,-0.1 2,-0.5 -0.402 62.6-152.1 -64.3 144.2 13.4 -26.0 -1.7 73 74 A I E -gh 96 146C 39 72,-2.4 74,-2.6 22,-0.1 2,-0.5 -0.976 9.0-144.4-118.3 127.2 13.1 -23.9 1.3 74 75 A V E -gh 97 147C 1 22,-2.5 24,-2.8 -2,-0.5 2,-0.4 -0.758 20.6-173.9 -98.2 128.8 14.0 -20.2 0.7 75 76 A V E +gh 98 148C 0 72,-2.8 74,-2.6 -2,-0.5 75,-0.4 -0.959 10.9 158.0-122.3 140.8 15.7 -18.4 3.6 76 77 A E E -g 99 0C 8 22,-2.3 24,-2.3 -2,-0.4 2,-0.6 -0.993 36.7-130.8-155.0 153.7 16.7 -14.9 4.1 77 78 A S E +g 100 0C 10 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.921 50.0 141.5-101.6 122.4 17.5 -12.5 6.9 78 79 A S - 0 0 1 22,-1.8 -2,-0.1 -2,-0.6 21,-0.0 -0.875 38.9-177.6-162.0 128.2 15.4 -9.3 6.3 79 80 A S S S+ 0 0 2 -2,-0.3 2,-0.1 245,-0.2 22,-0.1 0.204 81.0 52.9-104.2 11.4 13.5 -6.8 8.4 80 81 A G S > S- 0 0 12 244,-0.5 4,-1.1 149,-0.0 3,-0.5 -0.267 109.7 -50.9-128.3-143.5 12.6 -5.0 5.3 81 82 A N H > S+ 0 0 6 242,-0.4 4,-2.7 1,-0.2 5,-0.2 0.758 116.8 65.6 -74.3 -25.9 11.0 -5.4 1.9 82 83 A T H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 103.2 49.4 -59.2 -38.9 13.0 -8.3 0.6 83 84 A G H > S+ 0 0 0 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.884 111.1 50.6 -58.6 -46.2 11.4 -10.5 3.2 84 85 A V H X S+ 0 0 9 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.958 112.6 44.5 -57.5 -51.4 8.0 -9.2 2.2 85 86 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.914 114.5 48.9 -67.3 -39.9 8.5 -9.9 -1.5 86 87 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.918 113.3 47.4 -63.7 -41.3 10.0 -13.4 -0.9 87 88 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.942 113.0 49.6 -66.2 -38.8 7.2 -14.3 1.5 88 89 A H H X S+ 0 0 15 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.945 117.8 36.8 -65.2 -52.0 4.5 -13.1 -1.0 89 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 112.5 58.0 -76.9 -24.8 5.8 -14.9 -4.1 90 91 A G H X>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.3 4,-0.6 0.901 103.2 55.2 -71.0 -31.2 6.9 -18.0 -2.2 91 92 A A H ><5S+ 0 0 53 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.936 111.6 42.1 -61.2 -49.2 3.3 -18.5 -1.0 92 93 A I H 3<5S+ 0 0 86 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.3 49.3 -65.0 -44.4 1.9 -18.4 -4.5 93 94 A R H 3<5S- 0 0 51 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.247 113.9-104.9 -88.8 7.2 4.6 -20.6 -6.0 94 95 A G T <<5S+ 0 0 39 -3,-0.8 -24,-2.8 -4,-0.6 2,-0.4 0.804 72.6 132.2 75.4 40.6 4.7 -23.4 -3.5 95 96 A Y < - 0 0 12 -5,-2.4 2,-0.2 -26,-0.2 -1,-0.2 -0.979 55.2-128.4-120.9 137.0 7.9 -22.7 -1.6 96 97 A K E -g 73 0C 115 -24,-0.8 -22,-2.5 -2,-0.4 2,-0.4 -0.603 30.7-156.7 -70.8 139.0 8.3 -22.7 2.2 97 98 A V E -g 74 0C 5 20,-0.3 22,-3.0 -2,-0.2 2,-0.5 -0.989 12.5-168.5-122.9 134.9 9.9 -19.4 3.2 98 99 A I E -gi 75 119C 12 -24,-2.8 -22,-2.3 -2,-0.4 2,-0.5 -0.978 6.7-176.2-120.7 123.2 11.9 -18.7 6.4 99 100 A I E -gi 76 120C 0 20,-2.8 22,-2.4 -2,-0.5 2,-0.3 -0.969 8.4-158.0-117.7 131.4 12.7 -15.1 7.2 100 101 A T E +gi 77 121C 0 -24,-2.3 -22,-1.8 -2,-0.5 22,-0.2 -0.844 23.1 149.5-105.3 147.0 14.9 -14.3 10.2 101 102 A M E - i 0 122C 1 20,-2.0 22,-1.9 -2,-0.3 28,-0.1 -0.968 51.0 -74.7-163.8 159.2 14.9 -10.9 12.0 102 103 A P E > - i 0 123C 2 0, 0.0 3,-1.7 0, 0.0 23,-0.1 -0.261 37.8-122.7 -63.9 148.9 15.5 -9.7 15.6 103 104 A E T 3 S+ 0 0 110 20,-3.0 19,-0.1 1,-0.3 22,-0.0 0.608 107.0 68.0 -65.2 -13.8 12.7 -10.2 18.2 104 105 A S T 3 S+ 0 0 81 19,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.402 74.1 116.5 -89.4 -4.7 12.5 -6.4 18.8 105 106 A M S < S- 0 0 33 -3,-1.7 5,-0.0 1,-0.1 -4,-0.0 -0.361 76.0 -89.9 -62.6 152.9 11.1 -5.8 15.4 106 107 A S > - 0 0 40 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.059 26.9-116.0 -65.2 159.9 7.6 -4.3 15.2 107 108 A L H > S+ 0 0 52 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.908 113.7 61.7 -63.1 -36.7 4.5 -6.3 15.1 108 109 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 103.2 49.6 -58.0 -41.9 3.7 -4.9 11.6 109 110 A R H > S+ 0 0 55 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.966 116.7 39.9 -64.1 -46.3 6.9 -6.4 10.1 110 111 A R H X S+ 0 0 73 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.925 114.8 53.8 -68.3 -43.3 6.3 -9.9 11.6 111 112 A C H X S+ 0 0 67 -4,-3.5 4,-2.4 -5,-0.2 -1,-0.2 0.923 103.3 53.9 -61.8 -41.2 2.6 -9.8 10.8 112 113 A L H X S+ 0 0 42 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.927 111.5 46.5 -63.2 -42.1 2.9 -9.0 7.1 113 114 A L H ><>S+ 0 0 4 -4,-1.4 5,-1.8 1,-0.2 3,-0.5 0.914 111.1 51.3 -66.9 -38.0 5.2 -12.0 6.6 114 115 A R H ><5S+ 0 0 128 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.854 99.3 65.1 -70.9 -28.7 2.9 -14.3 8.6 115 116 A I H 3<5S+ 0 0 115 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.893 104.1 46.2 -55.9 -39.1 -0.1 -13.3 6.5 116 117 A F T <<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.435 123.5-108.4 -90.4 9.1 1.7 -14.8 3.5 117 118 A G T < 5 + 0 0 64 -3,-1.4 -20,-0.3 1,-0.3 -3,-0.2 0.610 65.3 151.1 88.4 9.8 2.5 -17.9 5.5 118 119 A A < - 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