==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 03-SEP-09 3A6M . COMPND 2 MOLECULE: PROTEIN GRPE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.NAKAMURA,K.TAKUMI,K.MIKI . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.2 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 . 2 0.6 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 . 11 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 2 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 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R > 0 0 117 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -99.2 94.5 27.6 198.4 2 5 A N T 4 + 0 0 81 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.183 360.0 53.6 -87.3 17.5 92.6 25.0 196.3 3 6 A H T 4 S+ 0 0 141 3,-0.1 -1,-0.2 4,-0.0 4,-0.0 0.540 114.7 34.7-121.5 -21.6 90.1 27.8 195.5 4 7 A E T 4 S+ 0 0 71 -3,-0.3 -2,-0.2 2,-0.1 6,-0.2 0.621 121.2 47.0-106.6 -22.1 92.4 30.5 194.1 5 8 A N S < S+ 0 0 74 -4,-1.5 3,-0.2 2,-0.2 -3,-0.2 0.813 117.7 40.6 -88.2 -35.7 94.9 28.1 192.5 6 9 A T S S+ 0 0 98 -5,-0.3 3,-0.4 1,-0.2 -2,-0.1 0.758 123.2 41.2 -82.4 -27.1 92.4 25.9 190.8 7 10 A L S > S+ 0 0 96 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.224 82.1 106.6-101.5 11.0 90.3 28.9 189.8 8 11 A E G > + 0 0 58 1,-0.3 3,-1.3 -3,-0.2 -1,-0.2 0.669 59.7 82.4 -62.6 -15.0 93.4 30.9 189.0 9 12 A K G >> + 0 0 51 -3,-0.4 4,-2.3 1,-0.3 3,-1.6 0.467 58.1 101.1 -69.1 0.5 92.3 30.4 185.4 10 13 A D G <4 S+ 0 0 69 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.696 97.6 28.0 -58.5 -17.6 90.0 33.4 186.0 11 14 A L G <4 S+ 0 0 141 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.191 117.1 64.2-125.6 9.5 92.7 35.3 184.1 12 15 A E T X4 S+ 0 0 61 -3,-1.6 3,-1.5 2,-0.1 4,-0.3 0.839 98.1 48.2 -99.2 -49.0 93.9 32.3 182.0 13 16 A A T >< S+ 0 0 78 -4,-2.3 3,-0.6 1,-0.3 4,-0.2 0.607 103.5 67.7 -68.4 -10.4 90.8 31.5 179.9 14 17 A V T >> S+ 0 0 65 -5,-0.4 3,-1.3 1,-0.2 4,-0.7 0.739 81.8 74.4 -79.1 -24.6 90.7 35.2 179.2 15 18 A G H <> S+ 0 0 45 -3,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.708 98.5 46.1 -61.1 -20.0 93.9 34.9 177.2 16 19 A Q H <4 S+ 0 0 78 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.530 111.9 50.6 -97.8 -10.7 91.8 33.3 174.5 17 20 A E H <4 S+ 0 0 143 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.1 0.338 119.4 36.7-105.0 2.2 89.1 36.0 174.7 18 21 A A H < S+ 0 0 42 -4,-0.7 -3,-0.2 2,-0.1 -2,-0.2 0.700 113.2 49.7-118.2 -47.9 91.7 38.8 174.5 19 22 A Q S < S+ 0 0 62 -4,-1.2 3,-0.3 -5,-0.3 -3,-0.1 0.754 112.1 53.5 -66.7 -23.6 94.4 37.6 172.0 20 23 A A S >> S+ 0 0 40 2,-0.2 3,-1.4 1,-0.2 4,-1.0 0.863 104.4 52.0 -77.9 -38.3 91.6 36.7 169.6 21 24 A L T 34 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.438 117.3 42.7 -75.9 1.9 90.1 40.2 169.8 22 25 A E T 34 S+ 0 0 52 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 0.186 109.0 57.8-127.0 7.8 93.6 41.2 169.0 23 26 A E T <4 S+ 0 0 63 -3,-1.4 4,-0.2 -5,-0.1 -2,-0.2 0.464 111.8 39.8-113.2 -12.8 94.2 38.5 166.3 24 27 A R S X S+ 0 0 121 -4,-1.0 4,-1.5 2,-0.2 3,-0.4 0.757 109.4 56.1-103.8 -40.6 91.2 39.6 164.2 25 28 A L T 4 S+ 0 0 42 -5,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.666 107.4 54.9 -66.6 -15.1 91.6 43.4 164.5 26 29 A K T >4 S+ 0 0 65 1,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.791 105.2 50.0 -86.1 -32.4 95.1 42.8 163.2 27 30 A A G >4 S+ 0 0 71 -3,-0.4 3,-1.4 1,-0.2 -2,-0.2 0.753 95.7 71.2 -76.4 -25.8 93.8 40.9 160.1 28 31 A A G >X S+ 0 0 19 -4,-1.5 3,-0.9 1,-0.3 4,-0.6 0.400 73.9 89.8 -71.7 5.6 91.4 43.8 159.3 29 32 A E G <4 S+ 0 0 68 -3,-0.9 3,-0.4 1,-0.3 -1,-0.3 0.870 95.2 36.7 -68.5 -37.0 94.5 45.8 158.4 30 33 A E G <4 S+ 0 0 67 -3,-1.4 -1,-0.3 3,-0.2 5,-0.2 0.130 104.9 76.4 -98.4 17.1 94.1 44.5 154.8 31 34 A E T <4 S+ 0 0 90 -3,-0.9 -2,-0.2 3,-0.2 -1,-0.2 0.610 110.5 23.3 -98.1 -20.5 90.3 44.7 155.3 32 35 A L S < S+ 0 0 83 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.291 140.3 32.3-122.5 -1.2 90.3 48.5 154.9 33 36 A K S S+ 0 0 62 -4,-0.2 -3,-0.2 -5,-0.1 -2,-0.1 0.610 118.2 49.4-122.6 -40.9 93.6 48.5 152.9 34 37 A G S >> S+ 0 0 35 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.878 114.4 47.4 -69.1 -37.5 93.5 45.2 151.0 35 38 A L H 3> S+ 0 0 32 1,-0.3 4,-1.9 -5,-0.2 5,-0.2 0.758 95.3 76.0 -71.8 -24.9 89.9 46.1 149.9 36 39 A K H 3> S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.598 94.8 54.0 -61.9 -8.9 91.4 49.5 149.0 37 40 A D H <> S+ 0 0 98 -3,-1.2 4,-1.3 2,-0.2 5,-0.3 0.927 105.2 44.8 -88.4 -62.4 92.8 47.6 146.1 38 41 A K H < S+ 0 0 142 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.767 124.7 41.7 -53.1 -24.8 89.7 46.0 144.5 39 42 A Y H >X S+ 0 0 58 -4,-1.9 4,-2.8 2,-0.2 3,-1.8 0.935 114.0 45.0 -87.5 -58.9 88.2 49.4 145.0 40 43 A L H 3< S+ 0 0 61 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.476 116.1 52.2 -66.3 -0.3 90.9 51.8 144.0 41 44 A R T 3< S+ 0 0 42 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.513 111.5 44.4-108.0 -14.4 91.4 49.5 141.0 42 45 A L T <> S+ 0 0 24 -3,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.741 116.7 45.0 -96.6 -33.1 87.7 49.6 140.1 43 46 A L T < S+ 0 0 69 -4,-2.8 4,-0.3 2,-0.2 -3,-0.2 0.480 108.4 59.1 -87.5 -5.1 87.5 53.4 140.6 44 47 A A T 4 S+ 0 0 51 -5,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.611 111.8 40.2 -94.0 -17.9 90.7 53.8 138.7 45 48 A D T >>>S+ 0 0 75 3,-0.2 4,-4.4 2,-0.1 3,-1.5 0.742 109.0 58.0 -97.6 -33.8 89.1 52.1 135.7 46 49 A F T 3<5S+ 0 0 45 -4,-1.5 4,-0.3 1,-0.3 -3,-0.1 0.732 111.3 44.4 -69.0 -21.4 85.8 53.8 136.0 47 50 A D T 345S+ 0 0 127 -4,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.168 124.3 37.8-104.8 14.3 87.6 57.1 135.7 48 51 A N T X>5S+ 0 0 92 -3,-1.5 4,-1.2 3,-0.1 3,-0.9 0.613 114.5 46.0-124.8 -57.8 89.6 55.6 132.8 49 52 A Y H >X5S+ 0 0 33 -4,-4.4 4,-2.7 1,-0.3 3,-1.3 0.951 112.7 51.9 -55.3 -53.7 87.3 53.4 130.8 50 53 A R H 34 S+ 0 0 82 -5,-0.4 4,-0.6 -4,-0.3 -1,-0.2 0.697 109.0 37.3 -64.7 -14.3 84.5 59.5 126.0 55 58 A E H <> S+ 0 0 111 -3,-0.7 4,-1.7 2,-0.2 -2,-0.3 0.861 108.9 55.7 -98.6 -59.9 86.5 59.1 122.8 56 59 A E H X S+ 0 0 83 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.657 112.7 49.8 -52.1 -15.5 85.0 56.1 121.1 57 60 A L H X S+ 0 0 25 -4,-1.5 4,-1.8 2,-0.2 5,-0.2 0.932 107.2 47.3 -87.2 -60.8 81.7 58.1 121.3 58 61 A K H X S+ 0 0 112 -4,-0.6 4,-1.2 -5,-0.3 -2,-0.2 0.676 116.9 51.2 -54.2 -15.0 82.8 61.5 119.9 59 62 A A H X S+ 0 0 52 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.881 102.8 53.6 -88.6 -47.3 84.4 59.3 117.2 60 63 A R H X S+ 0 0 67 -4,-1.1 4,-0.8 -5,-0.3 -2,-0.2 0.768 112.1 48.5 -59.3 -25.3 81.3 57.2 116.3 61 64 A E H >X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 3,-1.0 0.953 109.5 49.5 -77.2 -53.3 79.5 60.5 115.8 62 65 A R H 3X S+ 0 0 102 -4,-1.2 4,-2.4 1,-0.3 -2,-0.2 0.892 110.2 53.2 -48.9 -42.8 82.3 62.0 113.7 63 66 A E H 3X S+ 0 0 93 -4,-3.0 4,-2.3 1,-0.2 -1,-0.3 0.835 107.6 52.1 -61.7 -35.0 82.1 58.8 111.7 64 67 A G H X S+ 0 0 1 -4,-2.0 3,-2.2 1,-0.1 4,-0.6 0.664 87.8 84.2 -99.5 -16.1 75.8 63.9 99.9 73 76 A L H >X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.3 3,-1.1 0.855 77.1 74.0 -53.7 -36.9 78.9 65.4 98.3 74 77 A P H 3> S+ 0 0 47 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.650 90.2 59.8 -52.8 -15.5 77.7 64.1 94.9 75 78 A V H <> S+ 0 0 2 -3,-2.2 4,-2.5 2,-0.2 5,-0.2 0.899 102.6 49.0 -79.5 -41.9 75.1 66.9 95.0 76 79 A L H S+ 0 0 137 -4,-3.5 4,-0.9 1,-0.2 5,-0.8 0.787 111.1 49.8 -46.5 -27.2 78.5 69.9 86.7 82 85 A A H <>S+ 0 0 10 -4,-1.4 5,-0.8 -5,-0.2 -1,-0.2 0.904 105.6 51.5 -81.7 -43.2 75.5 72.0 86.0 83 86 A L H <5S+ 0 0 21 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.799 115.3 43.0 -64.4 -29.6 77.1 75.5 86.3 84 87 A E H <5S+ 0 0 128 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.718 136.2 4.3 -90.1 -22.2 79.8 74.6 83.8 85 88 A F T ><5S+ 0 0 140 -4,-0.9 3,-0.6 -5,-0.3 -3,-0.2 0.647 112.3 67.1-120.6 -77.4 77.7 72.7 81.3 86 89 A A G > - 0 0 52 -3,-1.0 4,-2.7 1,-0.1 3,-1.6 -0.973 62.7-126.7-133.5 146.7 69.1 76.0 77.9 90 93 A P H 3> S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.923 121.7 44.3 -52.4 -43.5 67.0 77.5 80.7 91 94 A E H 3> S+ 0 0 88 1,-0.2 4,-0.9 2,-0.2 -3,-0.0 0.515 109.8 58.7 -77.7 -6.2 64.8 74.4 80.3 92 95 A S H <> S+ 0 0 48 -3,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.867 110.2 39.7 -86.7 -43.3 68.0 72.4 80.1 93 96 A I H X S+ 0 0 7 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.904 110.9 58.9 -70.2 -44.6 69.1 73.5 83.6 94 97 A R H X S+ 0 0 36 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.958 109.4 44.4 -49.1 -53.6 65.5 73.3 84.9 95 98 A Q H X S+ 0 0 93 -4,-0.9 4,-2.3 1,-0.2 -1,-0.3 0.832 112.5 54.2 -62.0 -30.0 65.6 69.6 84.0 96 99 A G H X S+ 0 0 25 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.956 109.8 44.0 -68.2 -50.3 69.0 69.4 85.5 97 100 A V H X S+ 0 0 0 -4,-3.5 4,-3.0 2,-0.3 5,-0.2 0.923 110.7 55.5 -60.1 -45.8 68.0 70.8 88.9 98 101 A R H X S+ 0 0 64 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.967 110.4 47.7 -48.4 -53.9 64.9 68.6 88.8 99 102 A A H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 -2,-0.3 0.913 108.6 52.3 -52.9 -51.7 67.3 65.7 88.3 100 103 A I H X S+ 0 0 8 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.916 110.6 48.6 -54.0 -45.6 69.6 66.9 91.2 101 104 A R H X S+ 0 0 40 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.978 108.6 52.2 -57.4 -56.9 66.6 67.0 93.5 102 105 A D H X S+ 0 0 74 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.876 110.9 51.1 -45.2 -41.4 65.5 63.6 92.5 103 106 A G H X S+ 0 0 12 -4,-2.5 4,-3.0 1,-0.2 -1,-0.3 0.942 101.6 57.6 -62.9 -49.7 69.0 62.5 93.3 104 107 A F H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.875 106.9 52.2 -49.5 -39.3 69.1 64.1 96.7 105 108 A F H X S+ 0 0 49 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.968 108.1 47.3 -63.6 -54.6 66.1 61.9 97.5 106 109 A R H X S+ 0 0 167 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.939 112.3 52.5 -51.7 -47.6 67.7 58.6 96.4 107 110 A I H X S+ 0 0 36 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.904 111.3 45.6 -54.7 -45.4 70.7 59.6 98.4 108 111 A L H ><>S+ 0 0 1 -4,-2.3 5,-1.5 -5,-0.2 3,-0.8 0.939 111.1 51.7 -63.9 -48.1 68.5 60.2 101.5 109 112 A A H ><5S+ 0 0 44 -4,-3.3 3,-2.6 1,-0.3 -1,-0.2 0.885 102.5 63.2 -55.1 -38.7 66.7 57.0 101.0 110 113 A G H 3<5S+ 0 0 68 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.900 103.4 45.3 -53.9 -42.9 70.1 55.4 100.8 111 114 A L T <<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.210 127.8-105.2 -85.8 17.4 70.8 56.4 104.4 112 115 A G T < 5S+ 0 0 39 -3,-2.6 2,-0.6 1,-0.2 40,-0.3 0.922 71.9 146.8 61.8 48.2 67.3 55.1 105.1 113 116 A V < - 0 0 4 -5,-1.5 2,-0.3 -8,-0.2 38,-0.2 -0.950 26.7-168.3-119.2 110.7 65.6 58.5 105.5 114 117 A E E -A 150 0A 91 36,-1.9 36,-2.5 -2,-0.6 2,-0.4 -0.687 24.1-115.2 -98.7 150.9 62.0 58.7 104.3 115 118 A E E -A 149 0A 84 -2,-0.3 34,-0.3 34,-0.2 3,-0.1 -0.696 33.8-119.9 -84.9 133.2 60.0 61.8 103.8 116 119 A V - 0 0 4 32,-2.7 32,-0.3 -2,-0.4 -1,-0.1 -0.250 45.6 -73.5 -67.2 161.6 57.0 62.2 106.1 117 120 A P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.161 59.6 173.5 -56.8 147.5 53.5 62.4 104.7 118 121 A G > + 0 0 20 1,-0.3 3,-3.6 -3,-0.1 23,-0.2 -0.415 38.5 16.9-135.8-151.2 52.4 65.6 102.9 119 122 A E T 3 S+ 0 0 120 1,-0.3 -1,-0.3 -2,-0.1 23,-0.2 0.147 128.3 15.0 -28.8 117.1 49.6 67.3 100.9 120 123 A G T 3 S+ 0 0 44 21,-2.7 -1,-0.3 1,-0.4 22,-0.1 0.010 103.3 109.6 101.9 -28.0 46.5 65.2 101.3 121 124 A E S < S- 0 0 102 -3,-3.6 20,-2.8 1,-0.1 -1,-0.4 -0.246 82.0 -80.8 -76.9 169.3 47.7 63.2 104.2 122 125 A A B -C 140 0B 56 18,-0.2 2,-0.3 -3,-0.1 18,-0.3 -0.531 46.9-112.2 -73.6 130.9 46.4 63.4 107.8 123 126 A F - 0 0 70 16,-2.6 -1,-0.1 -2,-0.3 3,-0.1 -0.494 42.6-178.7 -62.3 120.1 47.9 66.3 109.8 124 127 A D >> - 0 0 30 -2,-0.3 4,-2.4 -7,-0.1 3,-2.1 -0.948 27.1-150.9-131.3 113.9 50.0 64.6 112.4 125 128 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 94.3 69.8 -49.0 -31.1 51.9 66.7 115.1 126 129 A R T 34 S+ 0 0 165 1,-0.2 -3,-0.0 -3,-0.1 3,-0.0 0.851 121.0 13.7 -60.7 -32.3 54.5 64.0 115.3 127 130 A Y T <4 S+ 0 0 60 -3,-2.1 32,-2.7 31,-0.1 2,-0.4 0.522 117.7 78.9-118.1 -13.7 55.7 64.8 111.8 128 131 A H E < -d 159 0C 6 -4,-2.4 2,-0.6 30,-0.2 32,-0.2 -0.854 49.0-164.7-115.3 141.8 54.1 68.2 111.1 129 132 A E E -d 160 0C 103 30,-3.2 32,-3.8 -2,-0.4 2,-0.6 -0.956 24.8-149.7-111.4 106.5 54.7 71.8 112.1 130 133 A A E -d 161 0C 52 -2,-0.6 32,-0.2 30,-0.2 3,-0.1 -0.725 18.5-179.6 -84.5 120.9 51.5 73.7 111.2 131 134 A V E - 0 0 72 30,-3.7 2,-0.3 -2,-0.6 31,-0.2 0.543 64.3 -53.7 -93.2 -8.4 52.2 77.3 110.3 132 135 A G E -d 162 0C 40 29,-0.6 31,-2.0 2,-0.0 2,-0.4 -0.914 66.4 -80.5 156.8-177.6 48.6 78.2 109.7 133 136 A L E -d 163 0C 92 -2,-0.3 31,-0.2 29,-0.3 8,-0.0 -0.900 29.9-175.2-124.3 152.5 45.7 76.9 107.6 134 137 A L E -d 164 0C 73 29,-1.8 31,-1.0 -2,-0.4 8,-0.1 -0.921 48.0 -68.4-133.6 158.5 44.6 77.2 104.0 135 138 A P E S+d 165 0C 103 0, 0.0 2,-0.3 0, 0.0 31,-0.2 -0.205 84.6 94.1 -49.9 128.3 41.4 75.9 102.2 136 139 A G S S- 0 0 33 29,-1.1 6,-0.1 27,-0.0 3,-0.0 -0.969 81.1 -34.6 169.1-174.1 41.4 72.1 102.0 137 140 A E S > S- 0 0 130 -2,-0.3 3,-1.5 4,-0.1 27,-0.5 -0.593 71.1-112.7 -74.3 121.5 40.1 69.0 103.7 138 141 A P T 3 S+ 0 0 71 0, 0.0 27,-0.2 0, 0.0 3,-0.1 -0.100 99.5 22.4 -51.7 143.4 40.1 69.6 107.4 139 142 A G T 3 S+ 0 0 45 25,-0.8 -16,-2.6 1,-0.2 2,-0.4 0.505 108.9 105.2 75.5 1.7 42.5 67.6 109.5 140 143 A K B < S-C 122 0B 63 -3,-1.5 24,-3.1 -18,-0.3 2,-0.4 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0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 170 7 B E 0 0 116 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -58.9 95.4 48.9 198.2 171 8 B N + 0 0 81 2,-0.1 4,-0.1 3,-0.1 0, 0.0 0.766 360.0 15.6 -86.4 -29.1 94.5 52.2 196.4 172 9 B T S > S+ 0 0 112 3,-0.2 4,-1.1 2,-0.1 -1,-0.1 0.445 111.9 75.7-121.1 -8.4 97.4 52.1 193.9 173 10 B L T 4 S+ 0 0 138 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.562 117.4 21.3 -79.6 -8.2 98.4 48.5 194.3 174 11 B E T > S+ 0 0 58 -4,-0.1 4,-0.6 3,-0.0 3,-0.3 0.499 119.1 60.9-130.0 -21.5 95.4 47.6 192.2 175 12 B K T >4 S+ 0 0 51 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.846 94.8 62.9 -77.9 -35.5 94.6 50.8 190.4 176 13 B D T 3< S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.3 3,-0.2 0.626 105.1 50.9 -63.6 -11.0 98.0 50.9 188.7 177 14 B L T >> S+ 0 0 112 -3,-0.3 3,-2.3 1,-0.2 4,-0.7 0.689 88.6 77.7 -95.9 -26.0 96.7 47.7 187.1 178 15 B E T << S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.537 81.9 72.5 -61.4 -4.3 93.4 49.3 186.0 179 16 B A T >4 S+ 0 0 64 -4,-0.3 3,-0.7 2,-0.2 4,-0.4 0.770 88.4 58.6 -80.8 -28.1 95.5 50.8 183.2 180 17 B V T X> S+ 0 0 98 -3,-2.3 3,-1.4 1,-0.2 4,-1.2 0.873 100.0 56.3 -67.6 -38.3 95.7 47.4 181.5 181 18 B G H 3X S+ 0 0 46 -4,-0.7 4,-1.0 1,-0.3 -1,-0.2 0.604 94.3 69.8 -69.6 -10.5 91.9 47.3 181.3 182 19 B Q H <4 S+ 0 0 59 -3,-0.7 4,-0.4 2,-0.2 -1,-0.3 0.743 98.1 50.4 -77.2 -24.4 92.2 50.6 179.4 183 20 B E H X> S+ 0 0 145 -3,-1.4 4,-2.5 -4,-0.4 3,-1.5 0.960 109.6 46.0 -76.1 -56.2 93.7 48.7 176.5 184 21 B A H 3X S+ 0 0 65 -4,-1.2 4,-0.6 1,-0.3 -2,-0.2 0.796 111.1 55.8 -57.0 -28.7 91.1 46.0 176.2 185 22 B Q H 3< S+ 0 0 72 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.735 112.4 42.1 -75.3 -22.7 88.5 48.7 176.5 186 23 B A H X> S+ 0 0 53 -3,-1.5 3,-1.9 -4,-0.4 4,-1.1 0.728 99.7 70.3 -92.6 -28.1 90.2 50.5 173.5 187 24 B L H 3X S+ 0 0 40 -4,-2.5 4,-0.7 1,-0.3 -2,-0.2 0.751 94.7 59.0 -60.2 -22.8 90.6 47.2 171.6 188 25 B E H 3< S+ 0 0 62 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.006 104.3 51.4 -95.0 27.1 86.9 47.3 171.2 189 26 B E H <> S+ 0 0 55 -3,-1.9 4,-0.5 3,-0.1 -2,-0.2 0.495 106.2 48.9-130.5 -27.8 87.2 50.7 169.5 190 27 B R H < S+ 0 0 60 -4,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.651 127.0 28.4 -88.6 -18.9 89.7 50.0 166.8 191 28 B L T X S+ 0 0 26 -4,-0.7 4,-1.0 -5,-0.2 -3,-0.1 0.542 120.4 53.5-114.3 -17.1 87.8 46.8 165.7 192 29 B K T 4 S+ 0 0 64 2,-0.2 -2,-0.1 -5,-0.1 -3,-0.1 0.648 113.0 44.2 -91.2 -19.3 84.3 48.0 166.7 193 30 B A T >X S+ 0 0 59 -4,-0.5 4,-1.3 2,-0.1 3,-0.7 0.697 107.0 60.9 -94.7 -25.5 84.6 51.2 164.7 194 31 B A H >> S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.991 105.6 44.2 -64.0 -61.0 86.2 49.5 161.7 195 32 B E H 3< S+ 0 0 66 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.340 106.2 70.2 -67.4 9.9 83.2 47.2 161.0 196 33 B E H <4 S+ 0 0 67 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.889 117.2 14.3 -90.6 -52.6 81.1 50.3 161.6 197 34 B E H X< S+ 0 0 83 -4,-1.3 3,-1.4 -3,-0.6 -2,-0.2 0.711 124.1 62.9 -92.4 -26.9 82.0 52.2 158.4 198 35 B L T 3< S+ 0 0 25 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.348 83.9 82.3 -78.1 6.3 83.5 49.2 156.8 199 36 B K T 3 S+ 0 0 67 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.504 102.7 30.8 -86.7 -6.8 80.0 47.7 157.0 200 37 B G S X> S+ 0 0 28 -3,-1.4 4,-2.8 2,-0.1 3,-1.2 0.235 87.5 99.5-132.6 8.9 79.2 49.7 153.8 201 38 B L T 34 S+ 0 0 44 1,-0.3 -3,-0.1 2,-0.2 -2,-0.1 0.455 88.4 51.2 -76.3 -0.2 82.6 49.7 152.1 202 39 B K T 34 S+ 0 0 62 3,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.372 112.5 47.1-110.6 -5.1 81.2 46.8 150.1 203 40 B D T <> S+ 0 0 100 -3,-1.2 4,-1.9 2,-0.2 5,-0.3 0.825 107.7 49.3-100.7 -51.5 78.1 48.8 149.2 204 41 B K T < S+ 0 0 34 -4,-2.8 4,-0.2 1,-0.3 -3,-0.1 0.531 121.4 43.1 -66.5 -2.8 79.7 52.2 148.2 205 42 B Y T > S+ 0 0 50 -5,-0.3 4,-0.9 2,-0.1 -1,-0.3 0.642 103.3 63.1-108.5 -33.3 81.8 49.8 146.1 206 43 B L T 4 S+ 0 0 54 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.798 109.7 42.5 -63.1 -28.7 78.8 47.6 145.0 207 44 B R T X S+ 0 0 168 -4,-1.9 4,-1.2 2,-0.2 3,-0.3 0.828 106.3 60.0 -85.2 -36.2 77.5 50.7 143.3 208 45 B L T 4 S+ 0 0 13 -5,-0.3 4,-0.3 1,-0.3 -2,-0.2 0.671 112.5 41.6 -65.3 -15.5 80.8 51.8 141.9 209 46 B L T X S+ 0 0 67 -4,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.565 108.0 59.1-104.3 -15.6 80.8 48.4 140.1 210 47 B A T 4 S+ 0 0 51 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 0.607 113.5 39.9 -85.2 -14.1 77.1 48.6 139.2 211 48 B D T X S+ 0 0 68 -4,-1.2 4,-1.2 2,-0.1 -2,-0.2 0.630 116.8 47.9-103.9 -24.2 78.0 51.8 137.3 212 49 B F T 4 S+ 0 0 43 -4,-0.3 4,-0.4 -5,-0.2 -2,-0.2 0.563 116.9 43.6 -90.8 -13.0 81.3 50.5 135.9 213 50 B D T < S+ 0 0 107 -4,-0.6 4,-0.2 2,-0.1 -1,-0.2 0.294 107.3 66.8-106.7 0.8 79.4 47.3 134.8 214 51 B N T >> S+ 0 0 62 2,-0.1 4,-1.6 3,-0.1 3,-1.0 0.893 101.0 42.6 -85.5 -50.2 76.7 49.7 133.6 215 52 B Y H 3X S+ 0 0 70 -4,-1.2 4,-3.0 1,-0.2 5,-0.3 0.888 99.9 74.3 -64.0 -39.6 78.7 51.3 130.8 216 53 B R H 34 S+ 0 0 57 -4,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.771 113.4 24.7 -44.4 -31.6 80.1 47.9 129.8 217 54 B K H <> S+ 0 0 78 -3,-1.0 4,-0.6 -4,-0.2 -1,-0.3 0.635 117.7 62.7-107.4 -22.2 76.6 47.1 128.4 218 55 B R H X S+ 0 0 101 -4,-1.6 4,-3.3 1,-0.2 3,-0.5 0.817 93.5 64.5 -72.6 -33.0 75.5 50.7 127.7 219 56 B M H X S+ 0 0 10 -4,-3.0 4,-3.3 1,-0.2 5,-0.4 0.880 89.4 62.8 -60.2 -44.1 78.3 51.4 125.2 220 57 B E H > S+ 0 0 143 -5,-0.3 4,-1.0 -4,-0.2 -1,-0.2 0.885 118.8 30.7 -50.0 -39.9 77.2 48.9 122.6 221 58 B E H X>S+ 0 0 119 -4,-0.6 4,-1.6 -3,-0.5 5,-0.5 0.956 116.1 57.5 -80.4 -61.5 74.1 51.0 122.3 222 59 B E H X5S+ 0 0 73 -4,-3.3 4,-1.4 1,-0.3 -3,-0.2 0.846 109.4 46.8 -33.7 -56.5 75.6 54.4 123.2 223 60 B L H X5S+ 0 0 21 -4,-3.3 4,-1.0 2,-0.2 -1,-0.3 0.922 112.1 49.9 -57.4 -49.1 78.1 54.1 120.3 224 61 B K H >X5S+ 0 0 112 -4,-1.0 3,-2.3 -5,-0.4 4,-1.4 0.980 114.9 39.8 -54.9 -67.7 75.4 53.0 117.7 225 62 B A H 3X5S+ 0 0 42 -4,-1.6 4,-1.6 1,-0.3 -1,-0.2 0.754 108.0 68.4 -54.9 -23.9 72.8 55.7 118.3 226 63 B R H 3XX S+ 0 0 2 -4,-1.7 3,-1.8 -3,-0.4 4,-0.7 0.628 86.6 83.9-104.1 -14.5 72.2 69.8 104.7 239 76 B L H 3X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 3,-0.2 0.794 79.3 72.2 -58.6 -26.7 68.4 69.5 104.0 240 77 B P H 3> S+ 0 0 44 0, 0.0 4,-3.5 0, 0.0 -1,-0.3 0.835 90.5 60.3 -57.9 -29.8 68.3 73.2 103.4 241 78 B V H <> S+ 0 0 1 -3,-1.8 4,-2.5 2,-0.2 -2,-0.2 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