==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-SEP-99 1QMD . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR C.E.NAYLOR,J.MILLER,R.W.TITBALL,A.K.BASAK . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 2 0 2 4 0 0 2 0 0 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 W 0 0 0 0, 0.0 151,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 165.4 -17.9 77.1 91.6 2 2 A D + 0 0 5 150,-0.4 9,-1.9 146,-0.0 2,-0.3 -0.376 360.0 156.7 -82.4 162.9 -20.2 76.6 88.7 3 3 A G - 0 0 0 7,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.945 31.0-123.2-175.2 164.2 -24.0 76.5 89.0 4 4 A K B >> -A 8 0A 78 4,-2.9 3,-1.5 -2,-0.3 4,-0.6 -0.914 27.9-114.1-123.5 152.1 -27.2 77.1 87.0 5 5 A I T 34 S+ 0 0 100 -2,-0.3 48,-0.1 1,-0.3 49,-0.1 0.735 109.5 65.6 -56.7 -22.7 -30.2 79.4 87.7 6 6 A D T 34 S- 0 0 89 47,-0.1 -1,-0.3 1,-0.1 44,-0.1 0.139 123.2 -94.4 -88.6 19.8 -32.5 76.4 88.2 7 7 A G T <4 S+ 0 0 2 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.782 90.6 113.8 76.3 23.1 -30.8 75.2 91.3 8 8 A T B < +A 4 0A 66 -4,-0.6 -4,-2.9 42,-0.1 -1,-0.3 -0.800 38.9 56.8-121.0 169.3 -28.6 72.7 89.6 9 9 A G S > S- 0 0 6 -2,-0.3 4,-2.1 -6,-0.2 3,-0.5 -0.500 101.0 -35.5 106.8-176.9 -24.8 72.4 89.1 10 10 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -7,-0.2 0.841 133.1 52.1 -50.2 -45.4 -21.7 72.3 91.3 11 11 A H H > S+ 0 0 2 -9,-1.9 4,-1.6 -3,-0.2 -1,-0.2 0.900 108.8 49.3 -60.6 -44.0 -23.2 74.7 93.9 12 12 A A H > S+ 0 0 6 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.909 108.5 54.2 -62.2 -42.6 -26.4 72.7 94.3 13 13 A M H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.897 105.5 55.1 -59.4 -39.5 -24.4 69.5 94.7 14 14 A I H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.910 112.9 37.9 -62.2 -48.3 -22.4 71.1 97.6 15 15 A V H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.844 114.9 55.5 -73.3 -32.6 -25.4 72.1 99.7 16 16 A T H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.958 112.7 42.3 -63.7 -46.7 -27.3 68.9 98.8 17 17 A Q H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.790 105.9 63.8 -69.8 -27.7 -24.3 66.9 100.1 18 18 A G H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.876 106.0 45.4 -62.6 -36.7 -23.9 69.2 103.1 19 19 A V H X S+ 0 0 1 -4,-1.6 4,-2.7 -3,-0.4 -2,-0.2 0.939 112.4 48.9 -70.2 -48.8 -27.4 68.0 104.2 20 20 A S H X S+ 0 0 40 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.887 108.0 57.0 -58.7 -39.0 -26.6 64.3 103.6 21 21 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.4 0.937 110.7 42.6 -57.8 -46.5 -23.4 64.8 105.5 22 22 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.884 107.0 60.3 -69.2 -37.3 -25.4 66.0 108.5 23 23 A E H < S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.6 35.3 -59.1 -28.4 -28.0 63.3 108.1 24 24 A N H < S+ 0 0 78 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.826 120.0 43.1 -96.1 -35.9 -25.1 60.8 108.6 25 25 A D H < S+ 0 0 4 -4,-2.6 146,-2.7 -5,-0.2 147,-0.3 0.683 81.4 116.6 -84.4 -18.9 -22.8 62.5 111.1 26 26 A L < - 0 0 20 -4,-2.1 144,-0.0 -5,-0.2 -4,-0.0 -0.325 66.3-128.4 -57.3 115.0 -25.6 63.7 113.4 27 27 A S > - 0 0 11 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.209 12.0-122.3 -60.0 156.3 -25.2 62.0 116.8 28 28 A K T 3 S+ 0 0 205 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.848 110.2 57.2 -71.1 -32.7 -28.1 60.2 118.4 29 29 A N T 3 S+ 0 0 127 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.467 78.8 123.4 -77.4 -3.7 -28.0 62.4 121.6 30 30 A E S < S- 0 0 17 -3,-0.8 5,-0.1 1,-0.1 142,-0.0 -0.288 79.5 -88.1 -57.7 144.0 -28.3 65.6 119.5 31 31 A P >> - 0 0 51 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.255 32.0-128.2 -54.1 137.9 -31.3 67.8 120.6 32 32 A E H 3> S+ 0 0 148 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.805 107.7 64.6 -61.2 -28.3 -34.5 66.7 118.7 33 33 A S H 3> S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 102.8 47.9 -59.4 -42.9 -35.0 70.4 117.7 34 34 A V H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.961 114.9 44.8 -61.2 -50.1 -31.7 70.3 115.8 35 35 A R H X S+ 0 0 86 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.799 114.6 50.1 -65.4 -30.5 -32.8 67.0 114.1 36 36 A K H X S+ 0 0 140 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.884 110.3 48.2 -76.7 -39.6 -36.3 68.4 113.5 37 37 A N H X S+ 0 0 20 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.843 106.6 58.0 -69.7 -29.8 -35.0 71.6 111.9 38 38 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.910 105.4 51.4 -64.7 -38.0 -32.7 69.5 109.7 39 39 A E H X S+ 0 0 85 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.815 107.3 51.2 -68.3 -33.1 -35.8 67.8 108.4 40 40 A I H X S+ 0 0 29 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.900 110.5 50.4 -69.4 -39.5 -37.5 71.1 107.6 41 41 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 7,-0.2 0.955 108.9 51.6 -62.5 -48.0 -34.3 72.1 105.7 42 42 A K H >< S+ 0 0 94 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.859 106.9 51.7 -59.4 -39.1 -34.4 68.8 103.8 43 43 A E H 3< S+ 0 0 141 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.608 110.3 50.8 -75.2 -8.2 -38.0 69.3 102.8 44 44 A N T XX S+ 0 0 20 -3,-1.5 4,-1.7 -4,-0.6 3,-0.9 -0.026 75.2 125.9-111.7 25.3 -37.0 72.8 101.5 45 45 A M H <> + 0 0 35 -3,-1.5 4,-2.7 1,-0.3 5,-0.2 0.857 65.9 57.4 -52.2 -44.5 -34.1 71.3 99.5 46 46 A H H 3> S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.843 108.7 46.8 -60.1 -33.2 -35.2 72.8 96.3 47 47 A E H <> S+ 0 0 36 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.825 110.3 52.0 -77.2 -33.1 -35.0 76.3 97.8 48 48 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 -7,-0.2 -2,-0.2 0.921 113.2 46.0 -66.4 -42.8 -31.6 75.6 99.4 49 49 A Q H X S+ 0 0 43 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.879 112.6 49.4 -66.4 -41.9 -30.3 74.5 96.0 50 50 A L H >X S+ 0 0 36 -4,-1.9 4,-2.3 -5,-0.2 3,-1.0 0.928 112.7 47.5 -64.4 -44.8 -31.9 77.5 94.2 51 51 A G H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.7 61.5 -64.6 -31.6 -30.3 79.8 96.8 52 52 A S H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.705 117.0 29.3 -68.8 -19.6 -27.0 78.0 96.4 53 53 A T H X< S+ 0 0 0 -3,-1.0 3,-1.7 -4,-0.7 4,-0.3 0.651 97.1 89.6-111.8 -21.8 -26.9 79.1 92.7 54 54 A Y G >X S+ 0 0 57 -4,-2.3 3,-2.4 1,-0.3 4,-0.8 0.767 72.4 67.6 -48.8 -44.2 -28.8 82.4 92.7 55 55 A P G 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 96.7 56.3 -56.1 -20.9 -25.9 84.9 93.3 56 56 A D G <4 S+ 0 0 5 -3,-1.7 -2,-0.2 1,-0.2 10,-0.2 0.566 119.0 32.6 -84.4 -8.4 -24.4 84.1 89.9 57 57 A Y T <4 S+ 0 0 50 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.2 0.294 80.6 139.9-128.0 6.5 -27.6 85.1 88.2 58 58 A D < + 0 0 38 -4,-0.8 3,-0.2 1,-0.2 -4,-0.0 -0.375 23.5 179.4 -59.8 115.9 -29.0 87.8 90.5 59 59 A K + 0 0 184 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.373 68.6 75.8 -98.5 -0.4 -30.6 90.5 88.4 60 60 A N S S+ 0 0 61 244,-0.1 244,-2.7 243,-0.1 -1,-0.2 -0.337 85.1 77.8-105.1 48.6 -31.7 92.7 91.3 61 61 A A S S- 0 0 22 -3,-0.2 239,-0.4 242,-0.2 -2,-0.1 0.140 103.2 -50.9-121.4-124.2 -28.2 94.0 92.1 62 62 A Y - 0 0 26 2,-0.1 235,-2.3 237,-0.1 3,-0.1 0.200 67.1-110.6-111.5 11.0 -25.8 96.7 90.6 63 63 A D S S+ 0 0 134 1,-0.2 2,-0.3 233,-0.2 -4,-0.1 0.877 72.3 140.9 60.8 39.0 -25.8 95.7 86.9 64 64 A L - 0 0 86 233,-0.1 2,-0.3 451,-0.0 -1,-0.2 -0.798 60.3-101.6-111.2 155.4 -22.2 94.5 87.2 65 65 A Y - 0 0 53 -2,-0.3 2,-0.1 449,-0.3 81,-0.1 -0.569 48.9-105.5 -74.9 134.0 -20.4 91.5 85.7 66 66 A Q + 0 0 49 79,-0.3 2,-0.3 -2,-0.3 -1,-0.1 -0.415 46.2 163.5 -67.7 134.5 -20.1 88.7 88.2 67 67 A D + 0 0 77 -2,-0.1 81,-0.1 75,-0.0 80,-0.1 -0.816 7.3 174.7-151.1 105.1 -16.6 88.1 89.7 68 68 A H + 0 0 17 79,-0.3 2,-0.6 -2,-0.3 -2,-0.0 -0.123 41.6 111.1-111.1 41.8 -16.5 86.0 92.9 69 69 A F + 0 0 29 68,-0.0 2,-0.3 62,-0.0 62,-0.1 -0.952 38.0 166.8-118.6 116.2 -12.7 85.6 93.4 70 70 A W - 0 0 62 -2,-0.6 65,-0.1 60,-0.1 -2,-0.0 -0.927 43.0-104.2-126.8 153.2 -11.2 87.4 96.4 71 71 A D > - 0 0 62 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.605 37.1-122.4 -72.7 134.0 -7.9 87.2 98.1 72 72 A P T 3 S+ 0 0 10 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.748 108.6 56.0 -48.4 -29.1 -8.5 85.3 101.4 73 73 A D T 3> S+ 0 0 39 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.436 77.3 97.4 -87.6 1.7 -7.1 88.2 103.5 74 74 A T H <> S+ 0 0 28 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 0.928 84.7 45.1 -54.4 -53.6 -9.5 90.8 102.1 75 75 A D H > S+ 0 0 15 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.913 113.5 51.0 -58.2 -46.3 -12.0 90.7 105.0 76 76 A N H > S+ 0 0 61 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.920 111.0 48.2 -60.3 -42.6 -9.2 90.7 107.6 77 77 A N H >< S+ 0 0 69 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.890 110.7 50.9 -65.3 -40.7 -7.7 93.8 106.0 78 78 A F H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 105.9 57.3 -66.9 -28.4 -11.0 95.6 105.8 79 79 A S H 3< S+ 0 0 39 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.748 85.6 100.4 -75.8 -22.0 -11.6 94.8 109.5 80 80 A K S << S- 0 0 95 -4,-1.0 3,-0.3 -3,-0.5 4,-0.1 -0.248 79.9-106.3 -65.7 149.4 -8.4 96.6 110.6 81 81 A D S S+ 0 0 67 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 -0.367 94.8 12.4 -73.6 155.7 -8.5 100.1 112.1 82 82 A N S S+ 0 0 166 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.059 96.5 101.9 70.4 -24.8 -7.4 103.2 110.1 83 83 A S S S+ 0 0 75 -2,-0.8 2,-0.3 -3,-0.3 -1,-0.1 0.321 75.4 55.0 -75.6 8.4 -7.1 101.3 106.8 84 84 A W S S- 0 0 79 -4,-0.1 2,-1.1 -5,-0.1 -2,-0.2 -0.999 82.2-118.1-146.0 141.0 -10.4 102.6 105.4 85 85 A Y > - 0 0 152 -2,-0.3 3,-2.4 1,-0.2 -2,-0.1 -0.661 30.3-150.3 -77.4 102.6 -11.9 106.0 104.7 86 86 A L T 3 S+ 0 0 50 -2,-1.1 224,-0.4 1,-0.3 -1,-0.2 0.727 87.4 69.4 -49.0 -31.6 -15.0 105.7 107.0 87 87 A A T 3 S+ 0 0 25 203,-0.1 204,-3.4 222,-0.1 2,-0.4 0.758 93.2 72.9 -61.0 -23.5 -17.2 108.0 104.9 88 88 A Y B < S-b 291 0B 115 -3,-2.4 222,-0.3 202,-0.2 204,-0.1 -0.743 89.3-118.2 -95.9 139.2 -17.3 105.2 102.2 89 89 A S - 0 0 7 202,-0.9 220,-0.2 -2,-0.4 -4,-0.1 -0.263 34.7-107.5 -66.7 159.6 -19.2 102.0 102.7 90 90 A I B -F 308 0C 7 218,-3.2 218,-0.8 1,-0.1 -1,-0.1 -0.792 36.0-110.6 -93.3 133.4 -17.1 98.8 102.7 91 91 A P - 0 0 41 0, 0.0 5,-0.1 0, 0.0 2,-0.1 -0.303 34.4-103.1 -64.5 145.5 -17.4 96.6 99.7 92 92 A D - 0 0 34 214,-0.2 2,-0.3 4,-0.1 3,-0.1 -0.414 42.5-173.1 -66.4 138.6 -19.1 93.2 99.9 93 93 A T > - 0 0 4 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.815 41.2-104.5-126.7 170.1 -16.8 90.2 100.1 94 94 A G H > S+ 0 0 0 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.940 123.6 51.7 -60.3 -41.0 -17.3 86.5 100.1 95 95 A E H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 112.0 43.4 -60.4 -47.6 -16.6 86.6 103.8 96 96 A S H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 109.3 57.3 -69.6 -35.2 -19.1 89.3 104.6 97 97 A Q H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.862 102.7 55.4 -63.3 -37.0 -21.8 87.8 102.3 98 98 A I H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.956 112.2 43.6 -58.6 -48.7 -21.7 84.6 104.3 99 99 A R H X S+ 0 0 22 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.902 114.2 49.2 -63.7 -44.3 -22.4 86.6 107.5 100 100 A K H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.947 114.9 42.0 -63.1 -53.0 -25.1 88.8 106.0 101 101 A F H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.743 112.9 55.9 -68.0 -23.9 -27.1 85.9 104.5 102 102 A S H X S+ 0 0 6 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.927 108.7 46.4 -72.0 -44.4 -26.6 83.9 107.6 103 103 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 248,-0.3 0.933 113.8 48.3 -62.3 -45.6 -28.1 86.6 109.8 104 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.850 111.3 51.5 -63.1 -35.9 -31.0 87.0 107.3 105 105 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.928 111.0 46.6 -67.4 -45.4 -31.5 83.2 107.4 106 106 A R H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 112.2 50.6 -62.3 -47.6 -31.6 83.1 111.2 107 107 A Y H X S+ 0 0 61 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.914 112.0 47.0 -56.7 -47.2 -34.0 86.0 111.4 108 108 A E H <>S+ 0 0 8 -4,-2.2 5,-2.5 1,-0.2 3,-0.3 0.868 110.9 51.8 -64.7 -38.5 -36.4 84.4 108.9 109 109 A W H ><5S+ 0 0 8 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.910 102.5 58.5 -65.5 -43.2 -36.3 81.0 110.5 110 110 A Q H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.6 45.5 -57.5 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