==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-DEC-05 2C8E . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR E.A.STURA,J.MENETREY,G.FLATAU,P.BOQUET,A.MENEZ . 596 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 2 3 5 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 3 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 . 9 3 0 6 0 0 6 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 3 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 45 E T 0 0 158 0, 0.0 2,-0.4 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 114.5 12.6 1.6 68.0 2 46 E Y - 0 0 72 76,-0.1 2,-0.4 149,-0.0 78,-0.2 -0.949 360.0-116.9-118.8 128.2 15.7 2.7 70.0 3 47 E Q B -a 80 0A 58 76,-2.1 78,-2.3 -2,-0.4 2,-0.6 -0.465 27.3-168.7 -61.9 112.8 15.9 5.4 72.7 4 48 E E - 0 0 82 -2,-0.4 2,-0.4 76,-0.2 130,-0.1 -0.945 18.5-137.2-102.3 114.8 18.3 8.2 71.6 5 49 E F + 0 0 8 -2,-0.6 3,-0.1 128,-0.5 199,-0.0 -0.586 30.4 168.7 -72.0 125.1 19.0 10.5 74.5 6 50 E T + 0 0 35 -2,-0.4 199,-2.8 1,-0.1 2,-0.4 0.372 59.2 67.7-117.3 0.2 18.8 14.2 73.3 7 51 E N > - 0 0 17 197,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.990 67.4-149.0-127.1 127.8 18.8 15.8 76.8 8 52 E I H > S+ 0 0 66 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.863 99.9 48.9 -63.6 -42.1 21.9 15.8 79.1 9 53 E D H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 112.1 50.0 -64.8 -39.2 19.9 15.9 82.3 10 54 E Q H > S+ 0 0 57 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.900 111.8 47.7 -64.5 -44.2 17.6 13.1 81.1 11 55 E A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.896 111.9 49.0 -65.8 -43.0 20.6 10.9 80.1 12 56 E K H X S+ 0 0 119 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.875 110.8 50.2 -66.1 -41.7 22.4 11.4 83.5 13 57 E A H X S+ 0 0 56 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.891 112.5 47.3 -62.3 -42.2 19.2 10.6 85.5 14 58 E W H X S+ 0 0 38 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.902 113.8 48.1 -66.7 -42.1 18.7 7.4 83.4 15 59 E G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.925 111.8 47.9 -65.7 -48.0 22.4 6.4 83.9 16 60 E N H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.823 108.3 56.8 -60.9 -33.7 22.4 7.0 87.6 17 61 E A H < S+ 0 0 45 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.859 110.0 43.8 -68.4 -37.4 19.2 5.0 88.0 18 62 E Q H >< S+ 0 0 28 -4,-1.5 3,-1.2 -3,-0.2 4,-0.4 0.920 112.2 52.2 -69.9 -46.9 20.7 1.9 86.4 19 63 E Y H >X S+ 0 0 47 -4,-2.3 3,-1.1 1,-0.2 4,-0.5 0.836 97.9 67.1 -59.5 -35.5 24.0 2.2 88.3 20 64 E K T 3< S+ 0 0 146 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.748 107.4 38.3 -60.1 -27.2 22.2 2.4 91.7 21 65 E K T <4 S+ 0 0 145 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.373 88.0 91.2-110.2 4.8 21.0 -1.2 91.4 22 66 E Y T <4 - 0 0 19 -3,-1.1 -2,-0.1 -4,-0.4 -1,-0.1 0.907 69.4-155.1 -63.3 -44.2 24.0 -3.0 89.8 23 67 E G < - 0 0 57 -4,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.891 17.9-170.5 65.3 42.6 25.5 -4.0 93.2 24 68 E L - 0 0 16 -5,-0.3 -1,-0.2 1,-0.1 2,-0.0 -0.347 20.1-117.0 -62.6 140.6 29.1 -4.3 91.8 25 69 E S > - 0 0 42 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.303 25.6-106.4 -72.2 163.9 31.7 -5.7 94.1 26 70 E K H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.896 121.8 47.8 -57.1 -43.8 34.7 -3.8 95.3 27 71 E S H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.839 109.7 52.8 -70.3 -33.5 37.1 -5.7 93.0 28 72 E E H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 109.7 48.5 -65.9 -44.0 34.7 -5.3 90.0 29 73 E K H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 111.5 50.4 -61.7 -42.4 34.6 -1.5 90.5 30 74 E E H X S+ 0 0 120 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.896 108.8 51.3 -63.3 -42.2 38.5 -1.4 90.8 31 75 E A H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.876 111.5 48.4 -61.6 -39.0 38.8 -3.4 87.6 32 76 E I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.921 109.8 50.1 -70.2 -45.7 36.5 -1.0 85.7 33 77 E V H X S+ 0 0 44 -4,-2.4 4,-0.9 1,-0.2 131,-0.3 0.929 112.7 48.5 -56.8 -44.6 38.3 2.2 87.0 34 78 E S H >X S+ 0 0 49 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.875 107.0 55.9 -65.4 -38.9 41.6 0.7 85.9 35 79 E Y H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.908 101.2 57.2 -59.1 -42.5 40.3 -0.2 82.5 36 80 E T H 3< S+ 0 0 16 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.773 107.5 49.3 -65.3 -23.7 39.2 3.4 81.8 37 81 E K H << S+ 0 0 143 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.766 126.0 24.4 -80.8 -30.1 42.8 4.5 82.3 38 82 E S S S+ 0 0 21 -4,-0.3 4,-2.8 -3,-0.3 5,-0.3 0.891 72.6 49.7 -62.5 -45.8 41.6 1.0 77.6 40 84 E S H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 113.7 47.1 -65.7 -34.9 43.5 1.4 74.3 41 85 E E H > S+ 0 0 148 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.894 115.1 44.8 -71.2 -42.5 46.4 -0.8 75.6 42 86 E I H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 116.3 45.7 -67.8 -47.3 44.1 -3.6 77.0 43 87 E N H X S+ 0 0 11 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.834 110.9 54.3 -64.7 -35.5 41.9 -3.6 73.9 44 88 E G H X S+ 0 0 29 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.882 108.8 47.8 -65.9 -39.8 45.0 -3.6 71.7 45 89 E K H X S+ 0 0 75 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.872 110.1 52.7 -68.8 -36.9 46.4 -6.7 73.4 46 90 E L H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.901 110.9 47.7 -63.9 -40.1 43.0 -8.4 73.1 47 91 E R H ><5S+ 0 0 110 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.916 109.5 52.0 -67.1 -44.3 43.0 -7.7 69.4 48 92 E Q H 3<5S+ 0 0 147 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.0 40.1 -59.5 -35.0 46.6 -9.0 68.9 49 93 E N T ><5S- 0 0 63 -4,-1.6 3,-1.7 -5,-0.1 -1,-0.2 0.305 107.4-122.1-100.8 7.8 45.7 -12.2 70.7 50 94 E K T < 5S- 0 0 140 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.841 74.1 -53.8 51.2 39.5 42.2 -12.8 69.1 51 95 E G T 3 + 0 0 17 -2,-0.6 3,-1.9 1,-0.1 -1,-0.1 0.373 44.0 104.3-110.4 2.5 44.2 -14.4 77.5 54 98 E N T 3 S+ 0 0 140 1,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.769 86.5 46.2 -61.3 -28.9 45.8 -17.6 78.9 55 99 E G T 3 S+ 0 0 78 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.349 89.3 109.8 -94.4 2.7 49.3 -16.2 78.2 56 100 E F S < S- 0 0 14 -3,-1.9 5,-0.0 1,-0.1 -3,-0.0 -0.315 84.7 -81.0 -68.7 161.1 48.7 -12.7 79.6 57 101 E P >> - 0 0 78 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.321 45.2-110.6 -57.3 148.2 50.4 -11.6 82.9 58 102 E S H 3> S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.829 115.7 55.3 -53.7 -42.0 48.5 -12.9 86.0 59 103 E N H 3> S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 109.5 46.4 -58.5 -42.9 47.3 -9.4 87.0 60 104 E L H <> S+ 0 0 23 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.835 106.8 55.9 -74.1 -35.9 45.6 -8.8 83.6 61 105 E I H X S+ 0 0 34 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.931 109.4 49.3 -59.2 -44.8 43.9 -12.2 83.4 62 106 E K H X S+ 0 0 126 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.918 111.2 48.7 -57.5 -47.3 42.3 -11.4 86.7 63 107 E Q H X S+ 0 0 29 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.909 110.9 48.8 -63.8 -46.6 41.2 -7.9 85.5 64 108 E V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 110.1 51.7 -60.6 -41.7 39.6 -9.2 82.3 65 109 E E H X S+ 0 0 109 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.872 111.0 48.6 -65.1 -35.4 37.8 -12.0 84.2 66 110 E L H X S+ 0 0 24 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.877 110.6 49.9 -70.4 -40.9 36.4 -9.3 86.6 67 111 E L H X S+ 0 0 1 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.931 112.8 47.5 -61.3 -46.1 35.3 -7.0 83.7 68 112 E D H >< S+ 0 0 46 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.909 112.4 49.3 -60.8 -43.2 33.5 -10.0 82.0 69 113 E K H >< S+ 0 0 119 -4,-1.9 3,-1.8 1,-0.2 4,-0.3 0.814 97.9 69.6 -67.1 -33.0 31.8 -11.0 85.2 70 114 E S H >X S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.3 4,-0.5 0.785 87.8 65.9 -56.3 -30.9 30.6 -7.4 85.8 71 115 E F T << S+ 0 0 2 -3,-0.9 -1,-0.3 -4,-0.7 85,-0.2 0.606 81.4 75.1 -74.8 -11.6 28.2 -7.7 82.9 72 116 E N T <4 S+ 0 0 103 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 107.7 36.0 -64.2 -23.5 26.1 -10.4 84.7 73 117 E K T <4 S+ 0 0 84 -3,-1.4 2,-0.7 -4,-0.3 -2,-0.2 0.559 108.5 73.2-101.9 -15.0 24.9 -7.4 86.8 74 118 E M < + 0 0 0 -4,-0.5 82,-1.8 83,-0.1 2,-0.3 -0.849 54.8 141.8-115.3 97.7 24.8 -4.8 83.9 75 119 E K B -I 155 0B 91 -2,-0.7 80,-0.2 80,-0.3 79,-0.1 -0.972 49.3-113.7-131.2 146.2 22.0 -5.1 81.3 76 120 E T - 0 0 4 78,-2.3 77,-2.7 -2,-0.3 78,-0.1 -0.640 13.9-150.0 -81.3 134.4 20.0 -2.4 79.6 77 121 E P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.526 77.4 21.2 -78.7 -7.5 16.2 -2.4 80.4 78 122 E E S S- 0 0 62 73,-0.1 2,-0.3 76,-0.1 75,-0.1 -0.966 97.1 -75.1-150.1 163.7 15.2 -1.0 77.0 79 123 E N + 0 0 48 -2,-0.3 -76,-2.1 -78,-0.2 2,-0.3 -0.514 62.3 176.9 -56.5 123.3 16.3 -0.6 73.4 80 124 E I E -aB 3 150A 0 70,-2.6 70,-3.0 -2,-0.3 2,-0.4 -0.955 29.9-132.7-135.2 156.6 19.0 2.2 73.4 81 125 E M E - B 0 149A 9 -78,-2.3 -76,-0.4 -2,-0.3 2,-0.3 -0.915 23.3-167.9-107.3 134.9 21.4 4.0 71.1 82 126 E L E - B 0 148A 0 66,-2.2 66,-2.8 -2,-0.4 2,-0.3 -0.910 8.2-141.4-122.7 152.5 25.1 4.5 72.1 83 127 E F E +CB 132 147A 12 49,-2.9 49,-1.8 -2,-0.3 2,-0.3 -0.865 17.9 173.3-117.4 146.0 27.8 6.7 70.6 84 128 E R E - B 0 146A 57 62,-1.7 62,-2.7 -2,-0.3 2,-0.4 -0.984 19.2-143.0-148.8 142.0 31.6 6.3 70.0 85 129 E G E - B 0 145A 1 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.822 21.6-178.2-101.5 141.3 34.4 8.3 68.2 86 130 E D E - B 0 144A 17 58,-2.5 58,-1.7 -2,-0.4 -2,-0.0 -0.952 21.6-125.6-134.9 157.6 37.2 6.6 66.3 87 131 E D > - 0 0 81 -2,-0.3 3,-1.9 56,-0.2 4,-0.2 -0.492 44.2 -90.1 -94.5 167.1 40.4 7.7 64.4 88 132 E P G > S+ 0 0 17 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.756 117.6 68.5 -52.6 -33.6 41.2 6.7 60.7 89 133 E A G > S+ 0 0 53 1,-0.3 3,-1.2 2,-0.2 7,-0.1 0.675 81.3 78.2 -63.7 -18.6 43.1 3.4 61.6 90 134 E Y G < S+ 0 0 29 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.784 94.2 50.1 -55.0 -29.7 39.8 1.9 62.7 91 135 E L G < S- 0 0 3 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.565 127.8 -79.2 -87.9 -10.7 39.0 1.4 59.0 92 136 E G X> - 0 0 19 -3,-1.2 3,-1.8 -4,-0.3 4,-1.0 -0.492 45.2 -75.3 128.7 163.1 42.3 -0.3 58.2 93 137 E T H 3> S+ 0 0 122 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.806 125.0 61.9 -60.9 -30.3 46.0 0.5 57.5 94 138 E E H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.564 108.3 43.1 -74.1 -10.0 45.1 1.8 54.0 95 139 E F H X> S+ 0 0 9 -3,-1.8 4,-1.9 -7,-0.1 3,-0.8 0.574 88.3 88.7-106.6 -17.8 42.9 4.5 55.6 96 140 E Q H 3< S+ 0 0 106 -4,-1.0 -7,-0.2 1,-0.2 4,-0.2 0.873 106.9 20.5 -46.9 -46.9 45.2 5.7 58.4 97 141 E N T 3< S+ 0 0 148 -4,-0.5 -1,-0.2 -9,-0.1 -2,-0.1 0.244 126.9 51.1-112.7 9.6 47.0 8.2 56.2 98 142 E T T <4 S+ 0 0 72 -3,-0.8 12,-0.2 12,-0.0 -2,-0.2 0.570 84.2 79.5-116.8 -18.3 44.3 8.7 53.4 99 143 E L S < S+ 0 0 0 -4,-1.9 8,-2.8 11,-0.1 2,-0.4 0.845 88.7 58.2 -67.8 -34.1 41.0 9.4 55.1 100 144 E L B S-J 106 0C 77 6,-0.2 6,-0.2 -5,-0.2 2,-0.1 -0.824 71.3-140.4-106.1 132.4 41.6 13.1 55.9 101 145 E N > - 0 0 56 4,-2.7 3,-1.5 -2,-0.4 6,-0.1 -0.341 39.7-102.1 -67.0 164.6 42.4 16.0 53.5 102 146 E S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.790 121.7 59.0 -64.3 -26.8 45.0 18.5 54.8 103 147 E N T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.380 121.1-103.9 -84.5 2.9 42.2 20.9 55.7 104 148 E G S < S+ 0 0 37 -3,-1.5 -2,-0.1 1,-0.3 3,-0.1 0.158 81.5 121.9 99.5 -17.5 40.6 18.4 58.1 105 149 E T S S- 0 0 38 1,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.328 72.3 -95.1 -74.2 159.6 37.6 17.4 55.9 106 150 E I B -J 100 0C 6 84,-2.7 2,-0.3 -6,-0.2 -6,-0.2 -0.611 39.0-116.9 -73.1 130.6 37.0 13.7 54.9 107 151 E N > - 0 0 52 -8,-2.8 4,-2.1 -2,-0.3 5,-0.1 -0.570 20.3-143.6 -67.5 126.4 38.5 12.9 51.5 108 152 E K H > S+ 0 0 127 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.852 96.6 50.0 -67.1 -37.9 35.5 12.0 49.3 109 153 E T H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 111.4 49.2 -66.7 -42.2 37.2 9.2 47.4 110 154 E A H > S+ 0 0 5 -12,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 108.7 54.5 -64.5 -37.9 38.5 7.6 50.6 111 155 E F H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.921 107.4 49.4 -60.2 -44.5 34.9 7.8 52.0 112 156 E E H X S+ 0 0 88 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.888 111.8 48.8 -65.2 -36.0 33.5 5.9 49.0 113 157 E K H X S+ 0 0 134 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.857 110.6 50.4 -70.2 -35.5 36.2 3.2 49.3 114 158 E A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.874 109.1 52.3 -69.3 -37.4 35.4 2.8 53.1 115 159 E K H X S+ 0 0 58 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.909 108.9 49.4 -64.5 -43.9 31.7 2.5 52.3 116 160 E A H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.5 49.6 -61.6 -38.3 32.4 -0.3 49.8 117 161 E K H < S+ 0 0 82 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.865 127.9 16.3 -67.9 -38.2 34.6 -2.1 52.4 118 162 E F H >< S+ 0 0 31 -4,-1.8 3,-2.0 -5,-0.1 63,-0.3 0.667 84.3 116.1-118.2 -24.0 32.1 -2.0 55.3 119 163 E L T 3< S+ 0 0 56 -4,-2.4 63,-0.1 -5,-0.3 3,-0.1 -0.330 95.1 2.2 -61.0 131.1 28.5 -1.2 54.3 120 164 E N T 3 S+ 0 0 108 61,-2.3 -1,-0.3 1,-0.2 2,-0.3 0.602 108.0 120.5 65.1 19.5 26.2 -4.1 55.0 121 165 E K < - 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0 0 14 -3,-1.3 -2,-0.1 -4,-0.5 -1,-0.1 0.934 64.9-163.6 -59.5 -53.0 13.7 31.3 56.3 224 67 F G < - 0 0 57 -4,-0.6 2,-0.1 1,-0.1 -3,-0.1 0.921 17.7-173.3 64.3 45.1 13.6 33.3 53.1 225 68 F L - 0 0 18 1,-0.1 -1,-0.1 49,-0.1 2,-0.1 -0.386 20.8-119.0 -67.2 146.6 14.1 36.7 54.8 226 69 F S > - 0 0 47 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.354 27.9-105.0 -77.3 166.3 13.9 39.9 52.8 227 70 F K H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 121.7 50.9 -60.5 -41.1 16.8 42.3 52.5 228 71 F S H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.860 109.3 51.2 -67.3 -36.3 15.2 44.8 54.9 229 72 F E H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.925 110.1 48.9 -65.4 -44.4 14.6 42.0 57.5 230 73 F K H X S+ 0 0 81 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 111.2 49.8 -61.8 -43.0 18.2 40.9 57.3 231 74 F E H X S+ 0 0 109 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.845 108.2 53.5 -64.9 -34.6 19.4 44.5 57.8 232 75 F A H X S+ 0 0 5 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.885 109.3 48.5 -66.6 -39.6 17.1 45.0 60.8 233 76 F I H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 109.4 52.3 -67.6 -41.4 18.6 41.9 62.4 234 77 F V H X S+ 0 0 47 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.938 108.5 52.1 -56.3 -47.0 22.1 43.1 61.7 235 78 F S H X S+ 0 0 40 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.880 106.6 53.5 -55.9 -43.0 21.1 46.4 63.4 236 79 F Y H X S+ 0 0 7 -4,-1.8 4,-0.6 1,-0.2 3,-0.4 0.908 105.8 52.3 -59.1 -44.2 19.9 44.5 66.5 237 80 F T H < S+ 0 0 28 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.770 112.4 47.0 -66.4 -24.8 23.2 42.6 66.8 238 81 F K H < S+ 0 0 140 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.715 130.4 17.2 -85.1 -26.1 25.0 46.0 66.8 239 82 F S H X S+ 0 0 35 -4,-1.4 4,-2.1 -3,-0.4 3,-0.3 -0.102 74.4 136.1-143.6 39.8 22.8 47.9 69.3 240 83 F A H X S+ 0 0 28 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.885 74.3 54.9 -59.0 -43.7 20.8 45.3 71.2 241 84 F S H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 110.9 45.8 -61.2 -38.4 21.3 46.9 74.6 242 85 F E H > S+ 0 0 133 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.935 114.5 45.9 -69.6 -49.3 19.9 50.2 73.3 243 86 F I H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.929 115.9 45.4 -61.0 -49.2 16.9 48.8 71.6 244 87 F N H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.851 109.7 56.2 -65.4 -35.1 15.9 46.5 74.5 245 88 F G H X S+ 0 0 32 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.895 109.1 46.4 -62.0 -40.9 16.5 49.4 77.0 246 89 F K H X S+ 0 0 71 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.870 109.9 53.0 -71.1 -38.8 14.0 51.6 75.1 247 90 F L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 6,-0.3 0.893 112.8 45.2 -61.9 -40.0 11.4 48.7 74.8 248 91 F R H ><5S+ 0 0 115 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.907 109.4 55.5 -68.3 -44.2 11.6 48.3 78.6 249 92 F Q H 3<5S+ 0 0 140 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.836 117.1 35.2 -57.8 -37.2 11.4 52.0 79.3 250 93 F N T ><5S- 0 0 67 -4,-1.7 3,-1.9 -5,-0.1 -1,-0.2 0.152 109.0-117.1-108.6 17.0 8.2 52.4 77.4 251 94 F K T < 5S- 0 0 133 -3,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.832 76.1 -50.6 50.7 40.3 6.6 49.0 78.3 252 95 F G T 3 + 0 0 14 -2,-0.7 3,-1.8 1,-0.2 -1,-0.1 0.395 50.6 101.1 -99.6 0.3 6.8 52.0 70.1 255 98 F N T 3 S+ 0 0 143 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.813 85.8 46.6 -60.0 -31.6 4.5 54.8 69.0 256 99 F G T 3 S+ 0 0 76 -3,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.407 90.9 107.1 -90.4 0.1 6.7 57.5 70.5 257 100 F F S < S- 0 0 12 -3,-1.8 -3,-0.0 1,-0.1 5,-0.0 -0.354 85.0 -85.8 -69.9 157.8 10.0 56.0 69.0 258 101 F P > - 0 0 82 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.278 43.5-109.5 -56.2 153.9 11.8 57.7 66.1 259 102 F S H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.792 116.5 53.6 -63.9 -31.9 10.5 56.6 62.7 260 103 F N H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 109.7 47.0 -69.9 -41.0 13.6 54.6 61.9 261 104 F L H > S+ 0 0 21 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.828 108.8 55.4 -70.3 -33.9 13.5 52.6 65.1 262 105 F I H X S+ 0 0 35 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 109.4 47.2 -61.3 -45.1 9.7 51.9 64.6 263 106 F K H X S+ 0 0 132 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 112.2 50.6 -63.4 -41.1 10.5 50.5 61.1 264 107 F Q H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 111.8 45.9 -62.9 -47.6 13.3 48.3 62.6 265 108 F V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.882 112.4 51.0 -66.0 -39.1 11.2 46.9 65.4 266 109 F E H X S+ 0 0 98 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.869 111.7 48.5 -66.6 -34.6 8.3 46.2 62.9 267 110 F L H X S+ 0 0 39 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.875 111.2 48.9 -73.1 -39.9 10.8 44.4 60.6 268 111 F L H X S+ 0 0 1 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.925 112.3 49.3 -61.1 -46.1 12.3 42.3 63.4 269 112 F D H >< S+ 0 0 44 -4,-2.4 3,-0.7 1,-0.2 4,-0.2 0.901 111.5 49.0 -59.0 -44.0 8.7 41.4 64.6 270 113 F K H >< S+ 0 0 118 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.804 98.5 68.3 -67.0 -32.8 7.8 40.4 61.1 271 114 F S H >< S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.3 4,-0.4 0.811 88.3 66.8 -58.3 -32.2 10.9 38.2 60.6 272 115 F F T << S+ 0 0 2 -4,-0.8 -1,-0.3 -3,-0.7 3,-0.2 0.640 82.5 73.1 -70.2 -15.5 9.6 35.7 63.2 273 116 F N T < S+ 0 0 100 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.785 107.8 37.1 -59.9 -27.2 6.7 34.7 60.8 274 117 F K S < S+ 0 0 87 -3,-1.6 2,-0.6 -4,-0.3 -2,-0.2 0.493 107.1 72.8-100.7 -9.9 9.5 33.0 58.9 275 118 F M + 0 0 2 -4,-0.4 81,-2.0 -3,-0.2 2,-0.3 -0.867 57.0 145.5-120.4 97.6 11.7 31.7 61.9 276 119 F K B -S 355 0E 93 -2,-0.6 79,-0.2 79,-0.3 78,-0.1 -0.947 47.3-115.7-129.3 147.9 10.2 28.8 63.9 277 120 F T - 0 0 3 77,-2.2 76,-2.8 -2,-0.3 77,-0.2 -0.706 15.0-150.5 -81.6 134.7 11.8 25.9 65.6 278 121 F P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 74,-0.1 0.456 76.7 22.3 -82.7 -2.1 10.8 22.5 64.1 279 122 F E S S- 0 0 56 72,-0.1 2,-0.3 75,-0.1 75,-0.1 -0.968 97.4 -74.9-152.5 164.5 11.2 20.7 67.5 280 123 F N - 0 0 51 -2,-0.3 -76,-1.8 -78,-0.2 2,-0.3 -0.528 60.4-178.7 -59.0 126.1 11.2 21.1 71.3 281 124 F I E -kL 204 350D 1 69,-2.5 69,-2.6 -78,-0.3 2,-0.5 -0.969 28.3-133.3-135.6 150.3 14.6 22.8 72.1 282 125 F M E - L 0 349D 5 -78,-2.5 -76,-0.3 -2,-0.3 2,-0.3 -0.892 25.3-169.7-100.0 128.0 16.6 23.9 75.1 283 126 F L E - L 0 348D 0 65,-2.0 65,-2.8 -2,-0.5 2,-0.4 -0.856 8.5-141.5-118.3 158.1 18.2 27.4 74.9 284 127 F F E +ML 333 347D 24 49,-2.5 49,-2.2 -2,-0.3 2,-0.3 -0.924 16.9 176.5-128.4 140.8 20.7 29.0 77.3 285 128 F R E - L 0 346D 66 61,-2.0 61,-2.6 -2,-0.4 2,-0.4 -0.998 15.6-149.5-142.3 141.8 21.3 32.6 78.6 286 129 F G E + L 0 345D 14 -2,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.894 20.9 179.7-108.1 145.5 23.7 34.2 81.1 287 130 F D E - 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