==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-09 3GRF . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR A.GALKIN,O.HERZBERG . 304 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.5 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 . 1 0.3 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 2 0 0 1 0 1 0 0 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 3 2 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 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 1 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 4 A K 0 0 200 0, 0.0 3,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 101.4 -56.3 -0.7 -0.9 2 5 A Q + 0 0 193 1,-0.5 2,-0.5 0, 0.0 107,-0.1 0.219 360.0 114.1 89.9 -13.3 -54.9 -1.3 -4.3 3 6 A T S S- 0 0 38 105,-0.2 -1,-0.5 102,-0.1 2,-0.4 -0.786 72.4-123.6 -79.6 130.7 -53.4 2.2 -4.0 4 7 A R - 0 0 79 -2,-0.5 2,-0.2 -3,-0.1 108,-0.1 -0.673 33.6-177.9 -78.5 131.0 -49.6 1.9 -3.9 5 8 A H - 0 0 33 -2,-0.4 108,-0.2 106,-0.2 2,-0.2 -0.415 25.3-137.6-110.9-175.8 -48.0 3.5 -0.9 6 9 A L B +a 113 0A 0 106,-2.2 108,-2.6 -2,-0.2 117,-0.1 -0.670 41.0 146.4-150.8 83.6 -44.3 3.9 0.2 7 10 A L S S+ 0 0 33 1,-0.2 2,-0.3 106,-0.2 112,-0.1 0.689 79.2 6.4 -95.0 -23.6 -44.1 3.2 3.9 8 11 A T S > S- 0 0 18 112,-0.1 3,-1.2 113,-0.1 -1,-0.2 -0.900 83.5-104.7-147.8 170.7 -40.6 1.7 3.6 9 12 A I G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 8,-0.0 0.780 114.4 70.2 -76.4 -22.0 -38.2 1.5 0.6 10 13 A S G 3 S+ 0 0 29 1,-0.3 -1,-0.3 7,-0.0 -4,-0.0 0.203 72.9 87.1 -75.5 8.2 -39.0 -2.2 0.2 11 14 A A G < S+ 0 0 37 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.585 88.0 68.3 -74.1 -17.6 -42.4 -1.1 -1.0 12 15 A L S < S- 0 0 5 -3,-1.7 -6,-0.0 -4,-0.1 159,-0.0 -0.799 86.1-129.3-103.0 145.9 -40.4 -1.0 -4.3 13 16 A C > - 0 0 45 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.453 41.5 -96.9 -82.0 168.1 -39.0 -3.9 -6.2 14 17 A P H > S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.794 123.8 50.0 -59.6 -36.5 -35.3 -3.6 -7.1 15 18 A K H > S+ 0 0 175 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.822 108.0 53.6 -74.7 -32.0 -35.9 -2.2 -10.6 16 19 A E H > S+ 0 0 36 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.891 109.5 48.3 -65.6 -40.6 -38.4 0.4 -9.4 17 20 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.902 113.5 47.2 -65.2 -40.3 -35.7 1.6 -6.9 18 21 A A H X S+ 0 0 32 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.820 111.5 51.0 -70.4 -34.5 -33.1 1.7 -9.7 19 22 A Y H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.901 109.0 51.0 -63.3 -43.3 -35.6 3.5 -12.0 20 23 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.909 109.4 51.5 -64.0 -38.7 -36.2 6.1 -9.3 21 24 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.957 113.0 43.6 -60.9 -55.3 -32.5 6.7 -8.8 22 25 A D H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.804 113.6 51.2 -61.5 -33.4 -31.9 7.2 -12.6 23 26 A R H X S+ 0 0 30 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.945 110.4 49.2 -69.6 -45.8 -35.0 9.5 -12.8 24 27 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.901 112.1 49.8 -54.5 -45.1 -33.7 11.6 -9.8 25 28 A L H X S+ 0 0 38 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.875 111.8 46.6 -65.9 -38.0 -30.4 11.8 -11.6 26 29 A D H X S+ 0 0 52 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.842 111.2 51.6 -75.2 -31.4 -31.9 12.9 -14.9 27 30 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.773 107.8 54.6 -71.7 -28.5 -34.1 15.5 -13.1 28 31 A K H < S+ 0 0 68 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 118.9 32.2 -61.7 -43.7 -31.0 16.8 -11.4 29 32 A K H < S+ 0 0 164 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.792 131.5 30.0 -85.7 -35.3 -29.3 17.3 -14.7 30 33 A N >< + 0 0 61 -4,-2.6 3,-1.6 -5,-0.1 4,-0.4 -0.546 62.7 153.7-127.9 60.8 -32.2 18.1 -17.0 31 34 A P G > + 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.843 65.4 74.4 -64.0 -26.5 -34.9 19.9 -14.8 32 35 A A G > S+ 0 0 86 1,-0.3 3,-0.5 2,-0.2 -5,-0.1 0.742 90.7 58.9 -58.2 -22.9 -36.3 21.7 -17.8 33 36 A K G < S+ 0 0 139 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.737 105.6 46.6 -74.9 -24.9 -37.9 18.5 -19.0 34 37 A Y G X S+ 0 0 14 -3,-1.8 3,-1.4 -4,-0.4 4,-0.4 0.224 74.7 115.3-106.0 14.8 -40.0 17.9 -15.9 35 38 A T T < S+ 0 0 91 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.555 84.5 30.2 -74.0 -10.1 -41.4 21.3 -15.5 36 39 A A T > S+ 0 0 69 -3,-0.3 3,-1.1 3,-0.1 -1,-0.3 0.195 82.8 111.1-133.1 13.1 -45.1 20.5 -16.1 37 40 A R T < S+ 0 0 89 -3,-1.4 29,-0.2 1,-0.3 -2,-0.1 0.864 94.5 24.9 -60.8 -37.9 -45.1 16.9 -14.7 38 41 A A T > S+ 0 0 0 27,-2.5 3,-2.5 -4,-0.4 -1,-0.3 0.016 84.7 159.2-113.4 26.1 -47.3 17.9 -11.7 39 42 A A T < S- 0 0 37 -3,-1.1 28,-0.3 26,-0.4 3,-0.1 -0.271 76.3 -0.7 -51.6 133.6 -48.9 21.0 -13.2 40 43 A N T 3 S+ 0 0 161 26,-1.0 2,-0.3 1,-0.2 -1,-0.3 0.538 107.9 117.7 63.5 9.5 -52.2 21.8 -11.2 41 44 A K < - 0 0 72 -3,-2.5 27,-1.7 21,-0.1 2,-0.4 -0.799 50.2-151.3-108.9 148.4 -51.6 18.8 -9.0 42 45 A T E -b 68 0A 36 -2,-0.3 47,-1.9 25,-0.2 48,-1.1 -0.945 9.3-149.6-127.4 148.2 -51.1 19.1 -5.2 43 46 A L E -bc 69 90A 0 25,-2.5 27,-3.2 -2,-0.4 2,-0.7 -0.918 13.9-144.8-107.6 135.5 -49.3 17.2 -2.5 44 47 A L E -bc 70 91A 11 46,-2.4 48,-2.2 -2,-0.4 2,-0.6 -0.897 19.6-168.0-100.5 121.9 -50.7 17.3 1.0 45 48 A A E -bc 71 92A 2 25,-2.8 27,-3.3 -2,-0.7 2,-0.2 -0.859 3.7-167.0-123.6 100.3 -47.7 17.2 3.4 46 49 A F E -bc 72 93A 11 46,-2.1 48,-1.4 -2,-0.6 2,-0.4 -0.552 4.0-174.3 -81.5 138.5 -48.4 16.6 7.1 47 50 A F E -bc 73 94A 2 25,-1.9 27,-2.9 -2,-0.2 48,-0.2 -0.964 18.9-177.5-135.4 123.6 -45.6 17.2 9.6 48 51 A A S S+ 0 0 49 46,-2.4 47,-0.1 -2,-0.4 -1,-0.1 0.560 89.2 15.1 -88.2 -12.9 -46.0 16.3 13.3 49 52 A K S S- 0 0 123 45,-0.4 -1,-0.4 -3,-0.1 45,-0.0 -0.932 94.9-100.5-160.5 136.8 -42.6 17.8 13.8 50 53 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.212 30.3 178.3 -60.8 143.1 -40.5 20.1 11.5 51 54 A S > - 0 0 15 1,-0.1 4,-3.3 2,-0.0 5,-0.3 -0.860 15.4-160.5-142.3 113.2 -37.7 18.9 9.3 52 55 A L H > S+ 0 0 128 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.931 94.1 50.2 -53.6 -52.3 -36.2 21.7 7.3 53 56 A R H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 115.5 40.9 -51.8 -50.7 -34.7 19.1 4.9 54 57 A T H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.960 118.9 44.8 -70.9 -47.8 -37.9 17.2 4.4 55 58 A R H X S+ 0 0 88 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.907 115.6 44.5 -63.7 -45.5 -40.2 20.2 4.2 56 59 A V H X S+ 0 0 76 -4,-3.0 4,-2.2 -5,-0.3 5,-0.2 0.878 114.7 48.5 -70.4 -37.2 -38.0 22.3 1.8 57 60 A S H X S+ 0 0 6 -4,-1.7 4,-2.1 -5,-0.4 -1,-0.2 0.897 115.1 45.6 -70.2 -37.8 -37.2 19.4 -0.5 58 61 A L H X S+ 0 0 2 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.923 116.3 43.2 -66.1 -49.7 -40.9 18.4 -0.7 59 62 A E H X S+ 0 0 61 -4,-2.4 4,-1.7 1,-0.2 10,-0.2 0.901 118.8 45.1 -68.9 -42.6 -42.3 21.9 -1.3 60 63 A T H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.870 107.6 59.0 -66.7 -39.1 -39.5 22.8 -3.8 61 64 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.933 106.7 47.6 -58.6 -43.8 -39.9 19.4 -5.6 62 65 A M H >X>S+ 0 0 0 -4,-1.8 5,-3.0 1,-0.2 4,-0.9 0.898 109.7 51.3 -68.7 -41.3 -43.5 20.2 -6.3 63 66 A T H 3<5S+ 0 0 97 -4,-1.7 3,-0.4 3,-0.2 -1,-0.2 0.890 108.9 52.5 -57.9 -39.5 -42.7 23.7 -7.6 64 67 A R H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.723 111.6 45.0 -69.8 -21.9 -40.1 22.2 -9.9 65 68 A L H <<5S- 0 0 0 -4,-1.0 -27,-2.5 -3,-0.7 -26,-0.4 0.473 123.1-110.2 -97.2 -15.3 -42.6 19.8 -11.3 66 69 A G T <5S+ 0 0 35 -4,-0.9 -26,-1.0 -3,-0.4 -3,-0.2 0.591 84.7 94.5 99.9 17.1 -45.1 22.7 -11.6 67 70 A G < - 0 0 15 -5,-3.0 2,-0.3 -28,-0.3 -1,-0.3 -0.148 67.9-107.5-118.7-151.4 -47.6 21.7 -8.9 68 71 A H E -b 42 0A 107 -27,-1.7 -25,-2.5 -30,-0.2 2,-0.4 -0.997 9.9-144.4-152.5 144.0 -47.9 22.7 -5.2 69 72 A A E -b 43 0A 2 -2,-0.3 2,-0.7 -27,-0.2 -25,-0.2 -0.961 14.0-143.2-113.9 133.3 -47.4 21.2 -1.7 70 73 A I E -b 44 0A 64 -27,-3.2 -25,-2.8 -2,-0.4 2,-1.0 -0.829 13.9-144.1 -89.8 115.7 -49.6 22.1 1.2 71 74 A Y E -b 45 0A 51 -2,-0.7 2,-0.8 -27,-0.1 -25,-0.2 -0.720 20.9-172.3 -80.9 106.1 -47.6 22.3 4.3 72 75 A Y E -b 46 0A 122 -27,-3.3 -25,-1.9 -2,-1.0 2,-0.2 -0.793 5.1-160.7-109.1 100.9 -50.0 20.8 7.0 73 76 A E E b 47 0A 122 -2,-0.8 -25,-0.2 -27,-0.2 -27,-0.1 -0.497 360.0 360.0 -81.6 135.4 -48.5 21.2 10.5 74 77 A L 0 0 122 -27,-2.9 -1,-0.1 -2,-0.2 -2,-0.0 -0.870 360.0 360.0-105.3 360.0 -50.0 19.0 13.2 75 ! 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 76 88 A T > 0 0 116 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 146.2 -61.1 10.4 12.6 77 89 A V H > + 0 0 55 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.879 360.0 52.9 -72.3 -37.8 -58.0 9.4 10.6 78 90 A Q H > S+ 0 0 83 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.913 112.3 44.8 -54.8 -50.4 -60.2 7.3 8.2 79 91 A D H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 113.8 50.0 -64.3 -43.2 -62.5 10.3 7.6 80 92 A T H X S+ 0 0 68 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.979 116.0 41.5 -59.3 -54.1 -59.5 12.6 7.2 81 93 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 28,-0.5 0.883 113.8 52.4 -63.2 -42.1 -57.9 10.2 4.7 82 94 A E H < S+ 0 0 65 -4,-3.0 -1,-0.2 -5,-0.2 4,-0.2 0.880 114.4 45.0 -58.3 -37.1 -61.2 9.5 2.9 83 95 A V H >< S+ 0 0 81 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.888 112.3 46.7 -80.6 -41.5 -61.7 13.2 2.5 84 96 A F H >X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 3,-1.7 0.821 103.4 65.3 -71.8 -24.6 -58.2 14.3 1.4 85 97 A S T 3< S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.556 100.0 51.5 -72.7 -10.4 -58.1 11.4 -1.2 86 98 A R T <4 S+ 0 0 182 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.202 121.6 31.6-105.4 10.0 -61.0 13.1 -3.0 87 99 A M T <4 S+ 0 0 149 -3,-1.7 -2,-0.2 1,-0.2 -45,-0.1 0.602 111.8 50.9-125.0 -55.5 -59.1 16.5 -3.1 88 100 A V < - 0 0 14 -4,-2.8 -1,-0.2 1,-0.1 -45,-0.1 -0.344 63.5-141.6 -91.4 164.6 -55.3 16.0 -3.3 89 101 A D S S+ 0 0 55 -47,-1.9 2,-0.3 1,-0.3 -46,-0.2 0.626 81.3 4.6 -96.5 -23.0 -53.3 13.9 -5.7 90 102 A I E -c 43 0A 0 -48,-1.1 -46,-2.4 20,-0.2 2,-0.3 -0.984 61.7-152.2-162.4 159.2 -50.7 12.6 -3.3 91 103 A C E -cd 44 112A 0 20,-2.1 22,-1.7 -2,-0.3 2,-0.3 -1.000 7.0-174.4-143.7 136.5 -49.8 12.8 0.4 92 104 A T E -cd 45 113A 0 -48,-2.2 -46,-2.1 -2,-0.3 2,-0.3 -0.941 14.6-171.7-122.5 153.1 -46.6 12.6 2.5 93 105 A A E -cd 46 114A 0 20,-1.8 22,-2.9 -2,-0.3 2,-0.6 -0.993 21.4-157.7-149.3 139.6 -46.7 12.5 6.3 94 106 A R E +c 47 0A 34 -48,-1.4 -46,-2.4 -2,-0.3 -45,-0.4 -0.896 35.0 163.4-115.2 93.3 -44.1 12.7 9.0 95 107 A L - 0 0 9 -2,-0.6 23,-0.2 21,-0.5 6,-0.1 -0.825 46.6-113.5-120.5 153.6 -45.8 11.1 12.0 96 108 A A S S+ 0 0 70 -2,-0.3 22,-0.8 21,-0.1 2,-0.2 0.932 92.4 28.8 -45.5 -66.5 -44.5 9.7 15.3 97 109 A T S > S- 0 0 46 20,-0.2 4,-1.4 21,-0.1 3,-0.2 -0.633 72.9-122.0-107.3 155.8 -45.2 6.0 14.9 98 110 A K H > S+ 0 0 45 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.696 110.2 68.5 -58.9 -18.8 -45.5 3.6 12.0 99 111 A E H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.944 99.9 41.3 -68.2 -58.3 -49.1 3.0 13.4 100 112 A M H > S+ 0 0 91 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.826 116.6 52.3 -55.9 -38.4 -50.6 6.4 12.6 101 113 A M H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.894 112.6 43.3 -67.1 -45.0 -48.8 6.2 9.2 102 114 A R H X S+ 0 0 90 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.826 112.7 53.2 -67.1 -40.5 -50.3 2.8 8.5 103 115 A E H X S+ 0 0 68 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.954 112.2 44.8 -58.5 -52.3 -53.7 3.8 9.7 104 116 A M H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 3,-0.5 0.952 115.4 46.4 -59.0 -55.1 -53.7 6.9 7.4 105 117 A A H < S+ 0 0 5 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.878 103.1 67.0 -53.1 -41.1 -52.4 4.9 4.5 106 118 A Q H < S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.8 27.9 -46.8 -49.5 -55.0 2.1 5.2 107 119 A H H < S+ 0 0 44 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.534 98.7 106.3 -96.4 -10.2 -58.0 4.4 4.4 108 120 A A < - 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