==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 18-APR-08 3CVA . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.FENG,L.ZHANG,T.HU,X.SHEN,K.CHEN,H.JIANG,D.LIU . 141 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 0 0 2 1 1 0 0 0 0 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 X S > 0 0 83 0, 0.0 4,-1.3 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 128.7 -36.3 0.5 21.0 2 3 X Q H > + 0 0 141 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.803 360.0 62.3 -75.5 -38.4 -37.5 -1.0 17.7 3 4 X S H > S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.793 105.8 47.1 -53.2 -33.5 -35.8 2.0 16.1 4 5 X N H > S+ 0 0 1 2,-0.2 4,-2.3 3,-0.1 5,-0.3 0.924 104.3 55.4 -77.9 -44.3 -32.6 0.7 17.5 5 6 X R H X S+ 0 0 128 -4,-1.3 4,-3.1 1,-0.2 5,-0.2 0.937 110.3 52.0 -50.6 -45.7 -33.0 -3.0 16.4 6 7 X E H X S+ 0 0 78 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 108.2 47.1 -54.9 -58.2 -33.5 -1.6 12.9 7 8 X L H X S+ 0 0 3 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.893 114.4 47.7 -50.7 -49.4 -30.3 0.6 12.9 8 9 X V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.953 112.1 49.9 -57.4 -50.9 -28.2 -2.3 14.3 9 10 X V H X S+ 0 0 43 -4,-3.1 4,-1.8 -5,-0.3 -2,-0.2 0.841 111.2 50.4 -65.6 -29.6 -29.7 -4.7 11.7 10 11 X D H X S+ 0 0 23 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.951 110.3 47.0 -66.1 -53.1 -28.9 -2.2 8.9 11 12 X F H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.942 116.5 43.9 -60.5 -47.6 -25.3 -1.6 9.8 12 13 X L H X S+ 0 0 1 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.910 114.1 48.0 -65.3 -48.4 -24.5 -5.4 10.2 13 14 X S H X S+ 0 0 26 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.932 114.1 50.5 -53.8 -44.3 -26.4 -6.4 7.1 14 15 X Y H X S+ 0 0 45 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.884 114.3 42.5 -60.2 -40.8 -24.5 -3.6 5.3 15 16 X K H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 6,-0.2 0.947 112.8 51.8 -78.4 -44.0 -21.2 -4.7 6.6 16 17 X L H <>S+ 0 0 0 -4,-3.6 5,-3.4 1,-0.2 -2,-0.2 0.931 114.3 43.6 -56.9 -49.5 -21.8 -8.4 6.0 17 18 X S H ><5S+ 0 0 63 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.2 0.932 110.6 56.3 -57.6 -48.9 -22.9 -7.7 2.3 18 19 X Q H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 110.5 43.5 -51.4 -42.7 -20.0 -5.3 1.8 19 20 X K T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -3,-0.1 -2,-0.2 0.192 125.6 -98.9 -97.0 13.1 -17.4 -7.9 2.8 20 21 X G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.587 80.2 125.8 87.7 14.3 -19.0 -10.7 0.8 21 22 X Y < - 0 0 60 -5,-3.4 2,-0.3 -6,-0.2 -1,-0.2 -0.437 63.3 -92.7-102.0 172.4 -21.1 -12.5 3.5 22 23 X S - 0 0 41 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.677 20.6-166.7 -89.2 137.6 -24.8 -13.4 3.8 23 24 X W > + 0 0 146 -2,-0.3 3,-0.9 1,-0.1 -1,-0.1 0.180 59.5 109.0 -99.9 15.6 -27.2 -11.1 5.6 24 25 X S T 3 + 0 0 86 1,-0.3 2,-1.4 -11,-0.1 -1,-0.1 0.929 50.5 85.7 -60.6 -52.1 -30.0 -13.8 5.7 25 26 X Q T 3 0 0 40 -3,-0.2 -1,-0.3 81,-0.0 85,-0.1 0.328 360.0 360.0 -32.9 -5.1 -29.8 -14.4 9.5 26 27 X F < 0 0 90 -2,-1.4 -3,-0.0 -3,-0.9 83,-0.0 -0.922 360.0 360.0-106.3 360.0 -32.2 -11.5 10.2 27 ! 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 28 82 X P 0 0 41 0, 0.0 -24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.0 -34.1 4.9 11.4 29 83 X M >> - 0 0 108 1,-0.1 4,-1.9 4,-0.0 3,-0.7 -0.289 360.0-107.9 -45.6 146.0 -34.7 7.4 8.7 30 84 X A H 3> S+ 0 0 81 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.816 120.9 69.5 -49.4 -26.2 -32.7 6.4 5.6 31 85 X A H 3> S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 101.2 38.7 -64.1 -45.4 -30.8 9.4 6.7 32 86 X V H <> S+ 0 0 1 -3,-0.7 4,-3.4 2,-0.2 5,-0.2 0.912 115.7 54.5 -72.6 -44.8 -29.3 7.9 9.8 33 87 X K H X S+ 0 0 46 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.946 109.9 44.5 -52.6 -55.1 -28.8 4.6 8.1 34 88 X Q H X S+ 0 0 87 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.918 114.3 53.0 -62.0 -33.4 -26.8 6.1 5.2 35 89 X A H X S+ 0 0 2 -4,-1.9 4,-3.3 -5,-0.3 -2,-0.2 0.948 109.0 46.6 -66.2 -47.1 -24.9 8.1 7.8 36 90 X L H X S+ 0 0 3 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.939 112.7 50.5 -58.2 -44.7 -24.0 5.1 10.0 37 91 X R H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.948 114.0 44.3 -61.3 -47.8 -22.9 3.1 6.9 38 92 X E H X S+ 0 0 56 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.958 113.9 51.1 -58.5 -49.7 -20.7 6.0 5.7 39 93 X A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.917 110.2 48.8 -51.6 -53.4 -19.3 6.5 9.3 40 94 X G H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.862 111.6 49.7 -56.2 -41.9 -18.4 2.9 9.7 41 95 X D H X S+ 0 0 46 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.919 111.7 47.2 -65.5 -46.3 -16.6 2.8 6.3 42 96 X E H >X S+ 0 0 79 -4,-2.6 4,-1.3 1,-0.2 3,-0.8 0.957 112.8 51.5 -59.0 -49.7 -14.6 6.0 7.1 43 97 X F H 3X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.851 107.2 51.3 -54.6 -43.6 -13.7 4.5 10.5 44 98 X E H 3< S+ 0 0 41 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.680 101.6 59.8 -76.0 -20.1 -12.5 1.1 9.1 45 99 X L H << S+ 0 0 157 -4,-1.1 3,-0.4 -3,-0.8 -1,-0.2 0.914 112.0 41.5 -70.6 -44.7 -10.1 2.7 6.5 46 100 X R H < S+ 0 0 128 -4,-1.3 2,-1.0 1,-0.2 -2,-0.2 0.989 124.8 35.1 -58.0 -67.5 -8.2 4.4 9.4 47 101 X Y >< + 0 0 118 -4,-2.3 3,-0.6 1,-0.1 -1,-0.2 -0.735 63.9 163.6 -99.6 88.2 -8.3 1.4 11.8 48 102 X R T 3 + 0 0 216 -2,-1.0 -1,-0.1 -3,-0.4 -4,-0.1 0.053 49.2 101.8 -87.5 25.1 -8.0 -1.7 9.6 49 103 X R T 3 S- 0 0 121 2,-0.0 -1,-0.2 1,-0.0 3,-0.1 0.789 82.4-136.0 -74.3 -24.8 -7.0 -3.9 12.7 50 104 X A < - 0 0 60 -3,-0.6 5,-0.2 1,-0.2 -2,-0.1 0.927 60.0 -70.9 59.3 48.3 -10.6 -5.3 12.8 51 105 X F S > S- 0 0 28 -4,-0.2 4,-2.5 1,-0.1 3,-0.4 0.783 76.0-178.6 42.6 46.4 -10.6 -4.8 16.6 52 106 X S H > S+ 0 0 58 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.722 72.2 30.6 -54.2 -37.4 -8.1 -7.7 16.7 53 107 X D H > S+ 0 0 83 2,-0.2 4,-2.3 3,-0.1 -1,-0.3 0.675 111.6 62.3-100.4 -17.9 -7.6 -7.9 20.5 54 108 X L H > S+ 0 0 15 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.878 108.6 46.6 -61.7 -41.8 -11.1 -6.7 21.6 55 109 X T H X S+ 0 0 3 -4,-2.5 4,-4.2 2,-0.2 -2,-0.2 0.852 108.2 57.0 -67.0 -34.4 -12.3 -9.8 19.7 56 110 X S H < S+ 0 0 79 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.939 106.8 47.7 -59.2 -50.6 -9.6 -11.9 21.5 57 111 X Q H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.904 124.2 33.5 -59.3 -39.7 -10.9 -10.9 24.9 58 112 X L H < S+ 0 0 11 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.968 74.4 173.9 -78.1 -53.6 -14.4 -11.8 23.8 59 113 X H < - 0 0 121 -4,-4.2 2,-0.1 -5,-0.1 -3,-0.1 0.926 35.5-132.9 30.3 94.0 -14.0 -14.8 21.3 60 114 X I + 0 0 2 -5,-0.1 -1,-0.1 36,-0.1 48,-0.1 -0.376 36.6 163.1 -84.5 143.5 -17.6 -15.4 20.9 61 115 X T > - 0 0 54 -2,-0.1 3,-1.7 -3,-0.1 39,-0.0 -0.958 56.5 -96.1-148.4 158.9 -19.2 -18.9 21.1 62 116 X P T 3 S+ 0 0 72 0, 0.0 -2,-0.0 0, 0.0 43,-0.0 0.708 125.5 61.1 -48.7 -20.0 -22.8 -20.2 21.5 63 117 X G T 3 S+ 0 0 66 2,-0.1 -3,-0.1 0, 0.0 0, 0.0 0.854 78.7 113.3 -74.7 -34.5 -21.7 -20.4 25.2 64 118 X T < - 0 0 24 -3,-1.7 2,-0.2 1,-0.1 -4,-0.0 -0.049 56.7-143.0 -53.0 131.1 -21.1 -16.6 25.6 65 119 X A >> - 0 0 44 1,-0.1 4,-1.2 4,-0.0 3,-0.9 -0.605 22.8-113.8 -89.7 152.4 -23.4 -14.6 27.9 66 120 X Y H 3> S+ 0 0 38 1,-0.2 4,-2.2 -2,-0.2 3,-0.3 0.873 113.8 62.4 -47.7 -45.9 -24.6 -11.1 27.3 67 121 X Q H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 99.4 55.4 -57.3 -32.4 -22.6 -9.8 30.3 68 122 X S H <> S+ 0 0 54 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.947 107.5 46.6 -65.2 -47.0 -19.4 -10.8 28.6 69 123 X F H X S+ 0 0 1 -4,-1.2 4,-3.0 -3,-0.3 5,-0.3 0.897 113.2 52.5 -56.0 -44.5 -20.1 -8.8 25.4 70 124 X E H X S+ 0 0 44 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.858 105.7 53.2 -60.2 -41.4 -21.0 -5.9 27.7 71 125 X Q H < S+ 0 0 141 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.896 116.4 39.0 -62.8 -36.8 -17.7 -6.2 29.6 72 126 X V H >< S+ 0 0 13 -4,-1.6 3,-1.0 2,-0.2 4,-0.3 0.838 112.5 52.1 -85.5 -40.7 -15.7 -6.0 26.4 73 127 X V H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.2 4,-0.4 0.880 98.2 70.8 -62.7 -36.4 -17.7 -3.4 24.5 74 128 X N G >< S+ 0 0 58 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.745 84.3 69.0 -50.0 -29.5 -17.4 -1.2 27.6 75 129 X E G X S+ 0 0 55 -3,-1.0 3,-1.3 1,-0.3 -1,-0.3 0.729 86.1 65.4 -63.2 -26.9 -13.7 -0.8 26.8 76 130 X L G < S+ 0 0 31 -3,-2.6 -1,-0.3 -4,-0.3 3,-0.2 0.791 107.4 45.3 -64.5 -22.9 -14.6 1.3 23.8 77 131 X F G X + 0 0 23 -3,-1.5 3,-2.9 -4,-0.4 -1,-0.3 0.011 64.8 126.3-114.6 22.1 -15.9 3.7 26.4 78 132 X R T < S+ 0 0 178 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.882 92.2 36.4 -40.3 -44.9 -13.1 3.9 29.1 79 133 X D T 3 S- 0 0 129 1,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.041 124.2-103.0-101.9 27.7 -13.3 7.6 28.5 80 134 X G < - 0 0 33 -3,-2.9 -1,-0.4 5,-0.0 2,-0.2 -0.144 55.5 -39.4 80.2 177.7 -17.0 7.9 28.0 81 135 X V + 0 0 32 -3,-0.1 2,-0.3 4,-0.1 -4,-0.1 -0.548 52.8 155.4 -84.2 140.1 -19.1 8.3 24.8 82 136 X N > - 0 0 60 -2,-0.2 4,-1.9 1,-0.0 3,-0.2 -0.898 57.2 -96.0-141.0 173.3 -18.4 10.5 21.8 83 137 X A H > S+ 0 0 15 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.899 122.3 54.4 -54.9 -42.8 -19.6 10.0 18.2 84 138 X G H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.905 106.1 51.2 -60.2 -43.4 -16.5 8.2 17.1 85 139 X R H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 107.7 52.3 -64.6 -41.6 -16.8 5.6 19.9 86 140 X I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.902 109.1 50.3 -58.7 -39.2 -20.4 4.9 18.9 87 141 X V H X S+ 0 0 1 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.969 109.3 52.2 -64.5 -46.1 -19.3 4.3 15.3 88 142 X A H X S+ 0 0 4 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.873 105.0 55.7 -52.9 -40.4 -16.6 2.0 16.8 89 143 X F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.970 112.2 42.0 -56.5 -52.5 -19.4 0.1 18.7 90 144 X F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 116.0 49.8 -61.1 -44.5 -21.2 -0.5 15.4 91 145 X S H X S+ 0 0 4 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.885 108.1 53.3 -64.8 -35.8 -18.0 -1.3 13.7 92 146 X F H X S+ 0 0 0 -4,-3.3 4,-2.9 -5,-0.2 -1,-0.2 0.915 109.0 48.8 -67.2 -43.4 -17.0 -3.8 16.5 93 147 X G H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.919 107.7 55.0 -60.5 -42.0 -20.3 -5.7 16.1 94 148 X G H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 110.1 47.3 -55.2 -46.0 -19.8 -5.8 12.3 95 149 X A H X S+ 0 0 18 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.922 108.7 53.3 -62.7 -46.3 -16.4 -7.4 13.0 96 150 X L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.941 110.5 49.1 -53.9 -45.3 -18.0 -9.9 15.5 97 151 X C H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.929 109.7 50.8 -60.2 -44.0 -20.4 -10.9 12.8 98 152 X V H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.979 112.7 45.1 -60.2 -59.5 -17.7 -11.4 10.2 99 153 X E H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.847 109.8 57.2 -43.1 -44.8 -15.6 -13.6 12.5 100 154 X S H <>S+ 0 0 0 -4,-2.3 5,-3.3 -5,-0.3 -1,-0.2 0.940 107.6 45.4 -61.7 -45.3 -18.7 -15.5 13.5 101 155 X V H ><5S+ 0 0 11 -4,-2.3 3,-1.7 -3,-0.3 5,-0.2 0.940 113.8 51.4 -62.8 -42.7 -19.5 -16.4 9.9 102 156 X D H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.3 52.4 -61.5 -30.9 -15.8 -17.3 9.4 103 157 X K T 3<5S- 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.229 119.9-110.5 -87.0 12.4 -15.9 -19.6 12.5 104 158 X E T < 5S+ 0 0 168 -3,-1.7 -3,-0.2 -5,-0.1 3,-0.2 0.838 86.9 122.1 53.5 38.8 -18.9 -21.4 11.1 105 159 X M > < + 0 0 39 -5,-3.3 3,-2.3 -6,-0.2 4,-0.3 -0.262 16.0 143.7-116.1 45.4 -21.1 -19.8 13.8 106 160 X Q T > + 0 0 77 1,-0.3 3,-2.7 -5,-0.2 4,-0.5 0.853 63.8 74.0 -56.7 -32.7 -23.7 -17.9 11.7 107 161 X V T 3> S+ 0 0 100 1,-0.3 4,-0.7 -3,-0.2 3,-0.3 0.815 90.6 60.0 -48.7 -30.6 -26.2 -18.8 14.3 108 162 X L H <> S+ 0 0 2 -3,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.638 82.2 79.4 -75.1 -15.7 -24.6 -16.1 16.5 109 163 X V H <> S+ 0 0 0 -3,-2.7 4,-1.7 -4,-0.3 -1,-0.2 0.946 96.6 43.6 -66.4 -42.5 -25.1 -13.1 14.1 110 164 X S H > S+ 0 0 57 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.834 112.7 55.2 -64.6 -34.6 -28.7 -12.5 15.1 111 165 X R H X S+ 0 0 92 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.914 107.5 48.3 -63.4 -42.3 -27.7 -13.0 18.7 112 166 X I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.852 107.9 55.7 -65.1 -34.3 -25.0 -10.3 18.4 113 167 X A H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.938 106.8 50.7 -63.7 -42.9 -27.6 -8.0 16.8 114 168 X A H X S+ 0 0 30 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.954 110.8 47.8 -58.7 -52.6 -29.8 -8.5 19.9 115 169 X W H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.885 108.6 54.6 -58.1 -40.3 -26.9 -7.6 22.2 116 170 X M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.949 109.7 47.5 -60.0 -46.3 -26.1 -4.5 20.2 117 171 X A H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.937 111.9 48.4 -58.0 -52.2 -29.7 -3.3 20.5 118 172 X T H X S+ 0 0 65 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.943 115.6 46.3 -50.1 -50.8 -29.8 -4.0 24.3 119 173 X Y H X>S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 5,-0.7 0.839 112.8 47.9 -62.4 -41.3 -26.4 -2.1 24.7 120 174 X L H X>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.2 4,-1.3 0.949 115.7 45.3 -65.3 -50.9 -27.4 0.8 22.5 121 175 X N H <5S+ 0 0 52 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.930 122.3 37.6 -58.4 -48.5 -30.7 1.2 24.4 122 176 X D H <5S+ 0 0 90 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.996 132.0 13.6 -68.0 -65.8 -29.0 0.8 27.8 123 177 X H H <5S+ 0 0 71 -4,-2.3 4,-0.3 -5,-0.2 -3,-0.2 0.586 128.9 35.4 -96.6 -15.2 -25.6 2.6 27.6 124 178 X L T X S+ 0 0 79 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.947 108.8 41.4 -62.0 -41.6 -28.6 8.3 27.0 127 181 X W H > S+ 0 0 74 -3,-0.3 4,-0.7 -4,-0.3 -2,-0.2 0.896 113.2 56.7 -63.9 -39.8 -25.5 10.1 25.6 128 182 X I H ><>S+ 0 0 2 -4,-2.2 5,-2.5 1,-0.2 3,-1.3 0.935 105.7 46.9 -59.6 -49.9 -27.2 10.4 22.2 129 183 X Q H ><5S+ 0 0 121 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.825 110.6 54.2 -62.8 -32.6 -30.3 12.2 23.4 130 184 X E H 3<5S+ 0 0 161 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.636 110.0 49.5 -73.6 -16.0 -28.2 14.6 25.4 131 185 X N T <<5S- 0 0 67 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 -0.093 133.6 -73.2-124.6 35.7 -26.2 15.4 22.3 132 186 X G T < 5 - 0 0 50 -3,-0.9 3,-0.4 3,-0.1 -3,-0.2 0.058 69.9-106.7 108.6 -18.6 -28.8 16.1 19.7 133 187 X G > < - 0 0 8 -5,-2.5 3,-1.7 -6,-0.2 4,-0.4 -0.381 67.0 -37.6 90.0-176.3 -30.1 12.7 19.0 134 188 X W T >> S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-1.1 0.755 124.8 79.7 -55.3 -25.2 -29.5 10.6 15.9 135 189 X D H 3> S+ 0 0 103 -3,-0.4 4,-2.9 1,-0.3 3,-0.3 0.835 85.5 57.9 -50.9 -34.8 -29.7 13.9 13.8 136 190 X T H <> S+ 0 0 28 -3,-1.7 4,-2.3 1,-0.3 -1,-0.3 0.733 98.0 59.5 -81.4 -15.8 -26.1 14.9 14.8 137 191 X F H <> S+ 0 0 2 -3,-1.4 4,-2.1 -4,-0.4 -1,-0.3 0.870 109.8 44.1 -65.9 -37.5 -24.8 11.6 13.3 138 192 X V H < S+ 0 0 59 -4,-1.1 3,-0.4 -3,-0.3 -2,-0.2 0.981 113.5 49.8 -69.1 -56.9 -26.4 12.9 10.0 139 193 X E H < S+ 0 0 154 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.9 37.5 -41.2 -46.4 -25.0 16.3 10.6 140 194 X L H < S+ 0 0 98 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.2 0.715 107.4 62.9 -85.8 -28.4 -21.5 14.7 11.3 141 195 X Y < 0 0 45 -4,-2.1 -103,-0.1 -3,-0.4 -105,-0.1 -0.839 360.0 360.0-129.8 150.3 -21.1 11.8 8.9 142 196 X G 0 0 46 -2,-0.3 -107,-0.1 -104,-0.1 -106,-0.0 -0.914 360.0 360.0-170.9 360.0 -20.8 10.6 5.2